2-(benzylamino)-N-phenylpyrimidine-4-carboxamide

C18H16N4O — CID 109303645

IUPAC2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c23-17(21-15-9-5-2-6-10-15)16-11-12-19-18(22-16)20-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,21,23)(H,19,20,22)
InChIKeyWGRPNGWRZRJGON-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.34
Rot. Bonds5

About 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide

2-(benzylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109303645) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109303645
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c23-17(21-15-9-5-2-6-10-15)16-11-12-19-18(22-16)20-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,21,23)(H,19,20,22)
InChIKeyWGRPNGWRZRJGON-UHFFFAOYSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
methyl 2-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109303702
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide (CID 109303645) is 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WGRPNGWRZRJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-17(21-15-9-5-2-6-10-15)16-11-12-19-18(22-16)20-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide?
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109303645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).