2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C19H16F2N4O — CID 109256475

IUPAC2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-18(26)14-10-22-19(23-11-14)25-15-7-8-16(20)17(21)9-15/h2-12H,1H3,(H,24,26)(H,22,23,25)
InChIKeyQRUORWUIFMSRMW-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.99
Rot. Bonds5

About 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109256475) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109256475
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-18(26)14-10-22-19(23-11-14)25-15-7-8-16(20)17(21)9-15/h2-12H,1H3,(H,24,26)(H,22,23,25)
InChIKeyQRUORWUIFMSRMW-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109256409
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109256475) is 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is QRUORWUIFMSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-18(26)14-10-22-19(23-11-14)25-15-7-8-16(20)17(21)9-15/h2-12H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).