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80381-63-1

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Basic Information
CAS No.: 80381-63-1
Name: 3-AMINO-2,5,6-TRIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 80381-63-1 (3-AMINO-2,5,6-TRIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE)
Formula: C9H11N3OS
Molecular Weight: 209.272
Synonyms: 3-Amino-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one;3-Amino-2,5,6-trimethylthieno-[2,3-d]pyrimidin-4(3H)-one;
Density: 1.47 g/cm3
Boiling Point: 413.8 °C at 760 mmHg
Flash Point: 204.1 °C
PSA: 89.15000
LogP: 1.67820
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Specification

The CAS register number of Thieno[2,3-d]pyrimidin-4(3H)-one,3-amino-2,5,6-trimethyl- is 80381-63-1. It also can be called as 3-Amino-2,5,6-trimethylthieno-[2,3-d]pyrimidin-4(3H)-one and the IUPAC name about this chemical is 3-amino-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one. The molecular formula about this chemical is C9H11N3OS and molecular weight is 209.2681.

Physical properties about Thieno[2,3-d]pyrimidin-4(3H)-one,3-amino-2,5,6-trimethyl- are: (1)ACD/LogP: 0.56; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 64.15Å2; (6)Index of Refraction: 1.718; (7)Molar Refractivity: 55.95 cm3; (8)Molar Volume: 141.9 cm3; (9)Polarizability: 22.18x10-24cm3; (10)Surface Tension: 54.6 dyne/cm; (11)Flash Point: 204.1 °C; (12)Enthalpy of Vaporization: 66.66 kJ/mol; (13)Boiling Point: 413.8 °C at 760 mmHg; (14)Vapour Pressure: 4.67E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-acetylamino-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester at heating. This reaction will need reagent hydrazine hydrate. The reaction time is 24 hour(s). The yield is about 61.6%.

Uses of Thieno[2,3-d]pyrimidin-4(3H)-one,3-amino-2,5,6-trimethyl-: it can be used to produce 2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one. This reaction will need reagent NaNO2, AcOH and solvent H2O. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(c(sc2/N=C(\N1N)C)C)C
(2)InChI: InChI=1/C9H11N3OS/c1-4-5(2)14-8-7(4)9(13)12(10)6(3)11-8/h10H2,1-3H3
(3)InChIKey: SVXIDPWZEHWIRT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H11N3OS/c1-4-5(2)14-8-7(4)9(13)12(10)6(3)11-8/h10H2,1-3H3
(5)Std. InChIKey: SVXIDPWZEHWIRT-UHFFFAOYSA-N