4-methyl-1-pyrimidin-5-ylpentan-2-one

C10H14N2O — CID 157112566

IUPAC4-methyl-1-pyrimidin-5-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cncnc1
InChIInChI=1S/C10H14N2O/c1-8(2)3-10(13)4-9-5-11-7-12-6-9/h5-8H,3-4H2,1-2H3
InChIKeySNONRBMWBCVRGK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-1-pyrimidin-5-ylpentan-2-one

4-methyl-1-pyrimidin-5-ylpentan-2-one (PubChem CID 157112566) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-5-ylpentan-2-one.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-5-ylpentan-2-one
PubChem CID157112566
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-methyl-1-pyrimidin-5-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cncnc1
InChIInChI=1S/C10H14N2O/c1-8(2)3-10(13)4-9-5-11-7-12-6-9/h5-8H,3-4H2,1-2H3
InChIKeySNONRBMWBCVRGK-UHFFFAOYSA-N
XLogP1.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-pyrimidin-5-ylpentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
3-methyl-N-pyrimidin-5-ylbutanamide
CID 130219529
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
(E)-3-hydroxy-2-(pyrimidin-5-ylmethyl)prop-2-enoic acid
CID 67774623
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
1-[4-[tert-butyl(methyl)amino]phenyl]-4-methylpentan-2-one
CID 159052231
2,6-dimethylheptan-4-one;1,4-xylene
CID 70503285
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
CID 130396721
4-methyl-1-pyrimidin-5-ylpentan-2-amine
CID 62753193
O-methyl 2-pyrimidin-5-ylethanethioate
CID 87853883
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-5-ylpentan-2-one?
The IUPAC name of 4-methyl-1-pyrimidin-5-ylpentan-2-one (CID 157112566) is 4-methyl-1-pyrimidin-5-ylpentan-2-one.
What is the SMILES notation for 4-methyl-1-pyrimidin-5-ylpentan-2-one?
The canonical SMILES for 4-methyl-1-pyrimidin-5-ylpentan-2-one is CC(C)CC(=O)Cc1cncnc1.
What is the InChIKey of 4-methyl-1-pyrimidin-5-ylpentan-2-one?
The InChIKey is SNONRBMWBCVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)3-10(13)4-9-5-11-7-12-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-pyrimidin-5-ylpentan-2-one?
4-methyl-1-pyrimidin-5-ylpentan-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-5-ylpentan-2-one is sourced from PubChem (CID 157112566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).