2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C8H10N2O — CID 135633080

IUPAC2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C8H10N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyGPHGETSVSBZRQC-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.57
Rot. Bonds

About 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135633080) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135633080
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C8H10N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyGPHGETSVSBZRQC-UHFFFAOYSA-N
XLogP0.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135633080) is 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GPHGETSVSBZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 150.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135633080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).