6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C22H24N4O — CID 109369384

IUPAC6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C)c2C)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-15-9-8-12-19(16(15)2)25-22(27)20-13-21(24-17(3)23-20)26(4)14-18-10-6-5-7-11-18/h5-13H,14H2,1-4H3,(H,25,27)
InChIKeyAGFDSCNXSABYQP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109369384) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109369384
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C)c2C)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-15-9-8-12-19(16(15)2)25-22(27)20-13-21(24-17(3)23-20)26(4)14-18-10-6-5-7-11-18/h5-13H,14H2,1-4H3,(H,25,27)
InChIKeyAGFDSCNXSABYQP-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349425
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109369384) is 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc(C)c2C)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AGFDSCNXSABYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-9-8-12-19(16(15)2)25-22(27)20-13-21(24-17(3)23-20)26(4)14-18-10-6-5-7-11-18/h5-13H,14H2,1-4H3,(H,25,27).
What are the key properties of 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).