N,2-diphenylpyrimidine-4-carboxamide

C17H13N3O — CID 139433813

IUPACN,2-diphenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O/c21-17(19-14-9-5-2-6-10-14)15-11-12-18-16(20-15)13-7-3-1-4-8-13/h1-12H,(H,19,21)
InChIKeyXVLYIDSQDWSVHR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds3

About N,2-diphenylpyrimidine-4-carboxamide

N,2-diphenylpyrimidine-4-carboxamide (PubChem CID 139433813) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N,2-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-diphenylpyrimidine-4-carboxamide
PubChem CID139433813
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN,2-diphenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O/c21-17(19-14-9-5-2-6-10-14)15-11-12-18-16(20-15)13-7-3-1-4-8-13/h1-12H,(H,19,21)
InChIKeyXVLYIDSQDWSVHR-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(4-chlorophenyl)-N-(3-pyrimidin-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 166208502
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 167899542
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540

Frequently Asked Questions

What is the IUPAC name of N,2-diphenylpyrimidine-4-carboxamide?
The IUPAC name of N,2-diphenylpyrimidine-4-carboxamide (CID 139433813) is N,2-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for N,2-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for N,2-diphenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of N,2-diphenylpyrimidine-4-carboxamide?
The InChIKey is XVLYIDSQDWSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17(19-14-9-5-2-6-10-14)15-11-12-18-16(20-15)13-7-3-1-4-8-13/h1-12H,(H,19,21).
What are the key properties of N,2-diphenylpyrimidine-4-carboxamide?
N,2-diphenylpyrimidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 139433813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).