N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109328390

IUPACN-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-10-11-20(28-4)18(12-15)24-22-23-16(2)13-19(25-22)21(27)26(3)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,23,24,25)
InChIKeyIWLQSKSEYOMGEJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.12
Rot. Bonds6

About N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide

N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109328390) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109328390
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-10-11-20(28-4)18(12-15)24-22-23-16(2)13-19(25-22)21(27)26(3)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,23,24,25)
InChIKeyIWLQSKSEYOMGEJ-UHFFFAOYSA-N
XLogP4.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109328414
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109328594
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326739
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336476
2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924364
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide (CID 109328390) is N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nc(C)cc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is IWLQSKSEYOMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-10-11-20(28-4)18(12-15)24-22-23-16(2)13-19(25-22)21(27)26(3)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide?
N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).