4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid

C18H15N3O2 — CID 20562052

IUPAC4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-18(23)15-12-20-16(14-9-5-2-6-10-14)21-17(15)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21)
InChIKeyQSNQBWPBHOKWAR-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.45
Rot. Bonds5

About 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid

4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 20562052) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
PubChem CID20562052
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-18(23)15-12-20-16(14-9-5-2-6-10-14)21-17(15)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21)
InChIKeyQSNQBWPBHOKWAR-UHFFFAOYSA-N
XLogP3.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 82169097
ethyl 2-phenyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]pyrimidine-5-carboxylate
CID 108775013
4-(benzylamino)-2-[(2-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 53215102
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
4-[2-(5-carboxy-2-phenylpyrimidin-4-yl)iminoethylideneamino]-2-phenylpyrimidine-5-carboxylic acid
CID 68569255
4-(benzylamino)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]pyrimidine-5-carboxylic acid
CID 53215114
ethyl 4-[(4-carbamoylphenyl)methylamino]-2-(3-methylphenyl)pyrimidine-5-carboxylate
CID 108777741
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid (CID 20562052) is 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is QSNQBWPBHOKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(23)15-12-20-16(14-9-5-2-6-10-14)21-17(15)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21).
What are the key properties of 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid?
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 20562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).