5,7-dihydrocyclopenta[d]pyrimidin-6-one

C7H6N2O — CID 158368884

IUPAC5,7-dihydrocyclopenta[d]pyrimidin-6-one
SMILESO=C1Cc2cncnc2C1
InChIInChI=1S/C7H6N2O/c10-6-1-5-3-8-4-9-7(5)2-6/h3-4H,1-2H2
InChIKeyKWCZLQFCPNHXLQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.14
Rot. Bonds

About 5,7-dihydrocyclopenta[d]pyrimidin-6-one

5,7-dihydrocyclopenta[d]pyrimidin-6-one (PubChem CID 158368884) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5,7-dihydrocyclopenta[d]pyrimidin-6-one.

Molecular Properties

Compound Name5,7-dihydrocyclopenta[d]pyrimidin-6-one
PubChem CID158368884
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5,7-dihydrocyclopenta[d]pyrimidin-6-one
SMILESO=C1Cc2cncnc2C1
InChIInChI=1S/C7H6N2O/c10-6-1-5-3-8-4-9-7(5)2-6/h3-4H,1-2H2
InChIKeyKWCZLQFCPNHXLQ-UHFFFAOYSA-N
XLogP0.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diazabicyclo[4.1.0]hepta-1,3,5-triene;methyl acetate
CID 174493888
8H-pyrido[4,3-d]pyrimidin-7-one
CID 67528187
7-methanidyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium
CID 58778078
4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 141121486
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 96629646
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 91522563
6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59332229
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde
CID 82415173

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrocyclopenta[d]pyrimidin-6-one?
The IUPAC name of 5,7-dihydrocyclopenta[d]pyrimidin-6-one (CID 158368884) is 5,7-dihydrocyclopenta[d]pyrimidin-6-one.
What is the SMILES notation for 5,7-dihydrocyclopenta[d]pyrimidin-6-one?
The canonical SMILES for 5,7-dihydrocyclopenta[d]pyrimidin-6-one is O=C1Cc2cncnc2C1.
What is the InChIKey of 5,7-dihydrocyclopenta[d]pyrimidin-6-one?
The InChIKey is KWCZLQFCPNHXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-6-1-5-3-8-4-9-7(5)2-6/h3-4H,1-2H2.
What are the key properties of 5,7-dihydrocyclopenta[d]pyrimidin-6-one?
5,7-dihydrocyclopenta[d]pyrimidin-6-one has a molecular weight of 134.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrocyclopenta[d]pyrimidin-6-one is sourced from PubChem (CID 158368884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).