6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide

C21H21FN4O — CID 112852260

IUPAC6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-2-3-13-23-19-14-18(21(27)25-17-12-8-7-11-16(17)22)24-20(26-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyXJDFZMOZFCNHKD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.75
Rot. Bonds7

About 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide

6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852260) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852260
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-2-3-13-23-19-14-18(21(27)25-17-12-8-7-11-16(17)22)24-20(26-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyXJDFZMOZFCNHKD-UHFFFAOYSA-N
XLogP4.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide (CID 112852260) is 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccccc2F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is XJDFZMOZFCNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-3-13-23-19-14-18(21(27)25-17-12-8-7-11-16(17)22)24-20(26-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide?
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).