6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one

C13H14N2O — CID 123297438

IUPAC6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccnc(=O)[nH]2)cc(C)c1C
InChIInChI=1S/C13H14N2O/c1-8-6-11(7-9(2)10(8)3)12-4-5-14-13(16)15-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQHBMOYOLCBOCRU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.36
Rot. Bonds1

About 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one

6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one (PubChem CID 123297438) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
PubChem CID123297438
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccnc(=O)[nH]2)cc(C)c1C
InChIInChI=1S/C13H14N2O/c1-8-6-11(7-9(2)10(8)3)12-4-5-14-13(16)15-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQHBMOYOLCBOCRU-UHFFFAOYSA-N
XLogP2.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-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

6-(3-bromophenyl)-1H-pyrimidin-2-one
CID 57438375
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
ethane;6-methyl-1H-pyrimidin-2-one
CID 91378693
6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one
CID 82410633
6-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
CID 106514209
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 107292674
6-(3,5-dimethylphenyl)-1H-pyrimidine-2-thione
CID 106513682
6-(methylamino)-1H-pyrimidin-2-one;hydrochloride
CID 21490026
6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one
CID 135121998
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one
CID 117273148
6-amino-(213C,1,3-15N2)1H-pyrimidin-2-one
CID 71315153

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one (CID 123297438) is 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one is Cc1cc(-c2ccnc(=O)[nH]2)cc(C)c1C.
What is the InChIKey of 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one?
The InChIKey is QHBMOYOLCBOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-6-11(7-9(2)10(8)3)12-4-5-14-13(16)15-12/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one?
6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 123297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).