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CAS No.: | 5661-01-8 |
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Name: | 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H8N2O |
Molecular Weight: | 136.15 |
Synonyms: | 5H-Cyclopentapyrimidin-4-ol,6,7-dihydro- (6CI,7CI);5,6-Trimethylene-4(3H)-pyrimidinone;NSC 28095; |
Density: | 1.438 g/cm3 |
Boiling Point: | 270.5oC at 760mmHg |
Flash Point: | 117.4oC |
PSA: | 46.01000 |
LogP: | 0.67090 |
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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