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1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

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Name

1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

EINECS N/A
CAS No. 5661-01-8 Density 1.438 g/cm3
PSA 46.01000 LogP 0.67090
Solubility N/A Melting Point N/A
Formula C7H8N2O Boiling Point 270.5oC at 760mmHg
Molecular Weight 136.15 Flash Point 117.4oC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5661-01-8 (1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one) Hazard Symbols N/A
Synonyms

5H-Cyclopentapyrimidin-4-ol,6,7-dihydro- (6CI,7CI);5,6-Trimethylene-4(3H)-pyrimidinone;NSC 28095;

Article Data 6

1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one Specification

This chemical is called 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one, and it can also be named as 4H-cyclopenta[d]pyrimidin-4-one, 1,5,6,7-tetrahydro-. With the molecular formula of C7H8N2O, its molecular weight is 136.15. The CAS registry number of this chemical is 5661-01-8, and its product category is Pyrimidine.

Other characteristics of the 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.714; (5)ACD/KOC (pH 7.4): 12.726; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 41.46 Å2; (10)Index of Refraction: 1.701; (11)Molar Refractivity: 36.663 cm3; (12)Molar Volume: 94.711 cm3; (13)Polarizability: 14.534×10-24cm3; (14)Surface Tension: 56.975 dyne/cm; (15)Density: 1.438 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: c1[nH]c(=O)c2c(n1)CCC2
2.InChI: InChI=1/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
3.InChIKey: RCTLNIIGJAMFQP-UHFFFAOYAW

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