2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

C19H18N4O2 — CID 109306366

IUPAC2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-21-19-20-12-11-17(23-19)18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyRERZIBJCWVEGQR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109306366) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109306366
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-21-19-20-12-11-17(23-19)18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyRERZIBJCWVEGQR-UHFFFAOYSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306424
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (CID 109306366) is 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is RERZIBJCWVEGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-9-7-14(8-10-16)13-21-19-20-12-11-17(23-19)18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109306366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).