2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H15FN4O — CID 109305662

IUPAC2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)12-21-17(24)16-10-11-20-18(23-16)22-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,24)(H,20,22,23)
InChIKeyRMCDCLNMTQBXOP-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.29
Rot. Bonds5

About 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305662) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305662
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)12-21-17(24)16-10-11-20-18(23-16)22-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,24)(H,20,22,23)
InChIKeyRMCDCLNMTQBXOP-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305735
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
ethyl 4-[[4-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303879

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305662) is 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is RMCDCLNMTQBXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)12-21-17(24)16-10-11-20-18(23-16)22-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,24)(H,20,22,23).
What are the key properties of 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).