2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H20N4O2 — CID 109304126

IUPAC2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-22-19(25)18-11-12-21-20(24-18)23-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyCOBQNVCNTVSFHZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304126) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304126
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-22-19(25)18-11-12-21-20(24-18)23-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyCOBQNVCNTVSFHZ-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109304137
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
methyl 3-[[4-[(2-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304143
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
methyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305468
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304126) is 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)NCc3ccccc3C)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is COBQNVCNTVSFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-22-19(25)18-11-12-21-20(24-18)23-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).