2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

C19H18N4O2 — CID 109255470

IUPAC2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-9-7-16(8-10-17)23-18(24)15-12-21-19(22-13-15)20-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyKCEZDFHDXYSVNI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds6

About 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109255470) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109255470
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-9-7-16(8-10-17)23-18(24)15-12-21-19(22-13-15)20-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyKCEZDFHDXYSVNI-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

N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 109255470) is 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is KCEZDFHDXYSVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-9-7-16(8-10-17)23-18(24)15-12-21-19(22-13-15)20-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-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-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).