N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C16H18ClN3O2 — CID 135898089

IUPACN-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C16H18ClN3O2/c1-9-4-5-12(8-14(9)17)20-15(21)7-6-13-10(2)18-11(3)19-16(13)22/h4-5,8H,6-7H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyNOKPVTZKXMGLIJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.92
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135898089) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135898089
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C16H18ClN3O2/c1-9-4-5-12(8-14(9)17)20-15(21)7-6-13-10(2)18-11(3)19-16(13)22/h4-5,8H,6-7H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyNOKPVTZKXMGLIJ-UHFFFAOYSA-N
XLogP2.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
N-(2-chloro-4,6-dimethylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135871591
N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676996
N-(3-chloro-4-methylphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863596
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898059
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896939
methyl 3-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-methylbenzoate
CID 135677000
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 135888029
N-(4-chloro-3-nitrophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137309139
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135925527
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135898089) is N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is NOKPVTZKXMGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9-4-5-12(8-14(9)17)20-15(21)7-6-13-10(2)18-11(3)19-16(13)22/h4-5,8H,6-7H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135898089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).