2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide

C18H12F4N4O — CID 109338103

IUPAC2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2F)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H12F4N4O/c1-9-6-16(17(27)25-15-5-2-10(19)7-14(15)22)26-18(23-9)24-11-3-4-12(20)13(21)8-11/h2-8H,1H3,(H,25,27)(H,23,24,26)
InChIKeyAZGPPAGUYNBIMR-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.34
Rot. Bonds4

About 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109338103) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109338103
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2F)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H12F4N4O/c1-9-6-16(17(27)25-15-5-2-10(19)7-14(15)22)26-18(23-9)24-11-3-4-12(20)13(21)8-11/h2-8H,1H3,(H,25,27)(H,23,24,26)
InChIKeyAZGPPAGUYNBIMR-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336630
N-(2,4-difluorophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336207
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335795
2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625
2-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335672
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
N-(2-tert-butylphenyl)-2-(2,4-difluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336685
6-N-(2,4-difluorophenyl)-2-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101086
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337718

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109338103) is 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2F)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AZGPPAGUYNBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c1-9-6-16(17(27)25-15-5-2-10(19)7-14(15)22)26-18(23-9)24-11-3-4-12(20)13(21)8-11/h2-8H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.34, 4 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-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).