2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one

C9H14N2O — CID 136692837

IUPAC2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12)
InChIKeyCGNGTPUGXYHJTE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.51
Rot. Bonds1

About 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one

2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136692837) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136692837
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12)
InChIKeyCGNGTPUGXYHJTE-UHFFFAOYSA-N
XLogP1.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one (CID 136692837) is 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CGNGTPUGXYHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5(2)8-6(3)9(12)11-7(4)10-8/h5H,1-4H3,(H,10,11,12).
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one?
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).