2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

C18H15FN4O — CID 109256919

IUPAC2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-17(24)14-11-21-18(22-12-14)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23)
InChIKeyRMHOHPISAMSVSO-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.29
Rot. Bonds5

About 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256919) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256919
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-17(24)14-11-21-18(22-12-14)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23)
InChIKeyRMHOHPISAMSVSO-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109256968
N-[(2-fluorophenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109256979
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109256962
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109256919) is 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccccc1F)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RMHOHPISAMSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-17(24)14-11-21-18(22-12-14)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).