N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide

C15H17N3O — CID 884012

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O/c1-9-5-6-13(7-10(9)2)14(19)18-15-16-11(3)8-12(4)17-15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyQFKJREDHWFCDPH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.96
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide (PubChem CID 884012) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide
PubChem CID884012
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O/c1-9-5-6-13(7-10(9)2)14(19)18-15-16-11(3)8-12(4)17-15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyQFKJREDHWFCDPH-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 705612
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-one
CID 11537800
1-(3,4-Dimethyl-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 784992

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide (CID 884012) is N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide is Cc1cc(C)nc(NC(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide?
The InChIKey is QFKJREDHWFCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-5-6-13(7-10(9)2)14(19)18-15-16-11(3)8-12(4)17-15/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 884012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).