N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

C17H12BrFN4O — CID 109268536

IUPACN-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H12BrFN4O/c18-12-1-5-14(6-2-12)22-16(24)11-9-20-17(21-10-11)23-15-7-3-13(19)4-8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyGLCUUQHHHMMBJY-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide

N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268536) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268536
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC NameN-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H12BrFN4O/c18-12-1-5-14(6-2-12)22-16(24)11-9-20-17(21-10-11)23-15-7-3-13(19)4-8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyGLCUUQHHHMMBJY-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

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Related Compounds

N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267158
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide (CID 109268536) is N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is GLCUUQHHHMMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-12-1-5-14(6-2-12)22-16(24)11-9-20-17(21-10-11)23-15-7-3-13(19)4-8-15/h1-10H,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-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 N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).