2-anilino-N-benzylpyrimidine-4-carboxamide

C18H16N4O — CID 109303802

IUPAC2-anilino-N-benzylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c23-17(20-13-14-7-3-1-4-8-14)16-11-12-19-18(22-16)21-15-9-5-2-6-10-15/h1-12H,13H2,(H,20,23)(H,19,21,22)
InChIKeyPWDBWBQJFLONOP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.15
Rot. Bonds5

About 2-anilino-N-benzylpyrimidine-4-carboxamide

2-anilino-N-benzylpyrimidine-4-carboxamide (PubChem CID 109303802) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-anilino-N-benzylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-benzylpyrimidine-4-carboxamide
PubChem CID109303802
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-anilino-N-benzylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c23-17(20-13-14-7-3-1-4-8-14)16-11-12-19-18(22-16)21-15-9-5-2-6-10-15/h1-12H,13H2,(H,20,23)(H,19,21,22)
InChIKeyPWDBWBQJFLONOP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
ethyl 4-[[4-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303879
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-benzylpyrimidine-4-carboxamide (CID 109303802) is 2-anilino-N-benzylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-benzylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-benzylpyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-benzylpyrimidine-4-carboxamide?
The InChIKey is PWDBWBQJFLONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-17(20-13-14-7-3-1-4-8-14)16-11-12-19-18(22-16)21-15-9-5-2-6-10-15/h1-12H,13H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-anilino-N-benzylpyrimidine-4-carboxamide?
2-anilino-N-benzylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzylpyrimidine-4-carboxamide is sourced from PubChem (CID 109303802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).