4-cyclopropyl-2-methyl-1H-pyrimidin-6-one

C8H10N2O — CID 135668179

IUPAC4-cyclopropyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O/c1-5-9-7(6-2-3-6)4-8(11)10-5/h4,6H,2-3H2,1H3,(H,9,10,11)
InChIKeyYWUKTCXFPCHIBZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.96
Rot. Bonds1

About 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one

4-cyclopropyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 135668179) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1H-pyrimidin-6-one
PubChem CID135668179
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-cyclopropyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O/c1-5-9-7(6-2-3-6)4-8(11)10-5/h4,6H,2-3H2,1H3,(H,9,10,11)
InChIKeyYWUKTCXFPCHIBZ-UHFFFAOYSA-N
XLogP0.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one (CID 135668179) is 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YWUKTCXFPCHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-9-7(6-2-3-6)4-8(11)10-5/h4,6H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one?
4-cyclopropyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135668179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).