6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109350640

IUPAC6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-18-11-17(23-12-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyOVXTWCOGNAEQNV-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.47
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350640) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350640
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-18-11-17(23-12-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyOVXTWCOGNAEQNV-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109350612
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350640) is 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is OVXTWCOGNAEQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-18-11-17(23-12-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).