6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

C17H12BrFN4O — CID 109359671

IUPAC6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-9-15(20-10-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyKFRZWJJOTWTWMY-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109359671) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109359671
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC Name6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-9-15(20-10-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyKFRZWJJOTWTWMY-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109359671) is 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(Nc2ccccc2Br)ncn1.
What is the InChIKey of 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is KFRZWJJOTWTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)23-16-9-15(20-10-21-16)17(24)22-12-5-3-4-11(19)8-12/h1-10H,(H,22,24)(H,20,21,23).
What are the key properties of 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 387.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).