2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one

C14H18ClN3O — CID 136651135

IUPAC2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC1=CCN(C)C(Cl)=C1CCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H18ClN3O/c1-9-6-7-18(3)14(15)11(9)4-5-12-16-10(2)8-13(19)17-12/h6,8H,4-5,7H2,1-3H3,(H,16,17,19)
InChIKeyRAYZCMVGVUXYHZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.35
Rot. Bonds3

About 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one

2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136651135) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136651135
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC1=CCN(C)C(Cl)=C1CCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H18ClN3O/c1-9-6-7-18(3)14(15)11(9)4-5-12-16-10(2)8-13(19)17-12/h6,8H,4-5,7H2,1-3H3,(H,16,17,19)
InChIKeyRAYZCMVGVUXYHZ-UHFFFAOYSA-N
XLogP2.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-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

Related Compounds

2-pentyl-7,8-dihydro-3H-quinazolin-4-one
CID 136338008
8-Butyl-2-(4-chlorocyclohexa-2,4-dien-1-yl)-3-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 164028578
4-[(6Z)-2-[2-chloro-5-[(3-methylbut-1-en-2-ylamino)methyl]cyclohepta-1,3,5-trien-1-yl]-6-ethylidene-1H-pyrimidin-4-yl]-1-pentylpyridin-2-one
CID 166797897
7-Chloro-2-methyl-9-[1-(methylamino)propyl]pyrido[1,2-a]pyrimidin-4-one;formaldehyde
CID 168202428
2-tert-butyl-4-(cyclohexen-1-yl)-1H-pyrimidin-6-one
CID 136933999
4-(cyclohexen-1-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136934000
2-{2-[(1,5-dimethylhex-4-en-1-yl)amino]ethyl}-6-methylpyrimidin-4(3H)-one
CID 137214429
6-{[rac-(2S,6S)-2,6-diallyl-4-methyl-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methylpyrimidin-4-ol
CID 137288343
7-Chloro-2-methyl-9-[1-(methylamino)propyl]pyrido[1,2-a]pyrimidin-4-one
CID 168202429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one (CID 136651135) is 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one is CC1=CCN(C)C(Cl)=C1CCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RAYZCMVGVUXYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-6-7-18(3)14(15)11(9)4-5-12-16-10(2)8-13(19)17-12/h6,8H,4-5,7H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 279.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-1,4-dimethyl-2H-pyridin-5-yl)ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136651135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).