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

C17H12BrFN4O — CID 109359672

IUPAC6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C17H12BrFN4O/c18-11-3-1-5-13(7-11)22-16-9-15(20-10-21-16)17(24)23-14-6-2-4-12(19)8-14/h1-10H,(H,23,24)(H,20,21,22)
InChIKeyDMPGVUQMXAQVQK-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

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

6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109359672) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109359672
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC Name6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C17H12BrFN4O/c18-11-3-1-5-13(7-11)22-16-9-15(20-10-21-16)17(24)23-14-6-2-4-12(19)8-14/h1-10H,(H,23,24)(H,20,21,22)
InChIKeyDMPGVUQMXAQVQK-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

6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
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
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403
N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109359672) is 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is DMPGVUQMXAQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-11-3-1-5-13(7-11)22-16-9-15(20-10-21-16)17(24)23-14-6-2-4-12(19)8-14/h1-10H,(H,23,24)(H,20,21,22).
What are the key properties of 6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
6-(3-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-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).