2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide

C17H13FN4O — CID 109265090

IUPAC2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C17H13FN4O/c18-14-8-4-5-9-15(14)22-17-19-10-12(11-20-17)16(23)21-13-6-2-1-3-7-13/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyYIBVKHWWPCPFEH-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.61
Rot. Bonds4

About 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide

2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109265090) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
PubChem CID109265090
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C17H13FN4O/c18-14-8-4-5-9-15(14)22-17-19-10-12(11-20-17)16(23)21-13-6-2-1-3-7-13/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyYIBVKHWWPCPFEH-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268433
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide (CID 109265090) is 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is YIBVKHWWPCPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-14-8-4-5-9-15(14)22-17-19-10-12(11-20-17)16(23)21-13-6-2-1-3-7-13/h1-11H,(H,21,23)(H,19,20,22).
What are the key properties of 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide?
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 308.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).