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

C21H22N4O2 — CID 109347963

IUPACN-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-15-9-10-19(27-3)17(11-15)24-20-12-18(22-14-23-20)21(26)25(2)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyBYABMHXGHDHCTL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.81
Rot. Bonds6

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

N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109347963) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109347963
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-15-9-10-19(27-3)17(11-15)24-20-12-18(22-14-23-20)21(26)25(2)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyBYABMHXGHDHCTL-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109328390
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347996
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347713
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide (CID 109347963) is N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is BYABMHXGHDHCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-9-10-19(27-3)17(11-15)24-20-12-18(22-14-23-20)21(26)25(2)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).