2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C20H18F2N4O — CID 109335795

IUPAC2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C20H18F2N4O/c1-11-4-5-12(2)17(8-11)24-19(27)18-9-13(3)23-20(26-18)25-16-7-6-14(21)10-15(16)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyTUWSGJQKLSPMPC-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.68
Rot. Bonds4

About 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335795) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335795
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C20H18F2N4O/c1-11-4-5-12(2)17(8-11)24-19(27)18-9-13(3)23-20(26-18)25-16-7-6-14(21)10-15(16)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyTUWSGJQKLSPMPC-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-(2-tert-butylphenyl)-2-(2,4-difluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336685
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337718
2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338103
N-(2,4-difluorophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336207
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324175

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335795) is 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3F)n2)c1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is TUWSGJQKLSPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-4-5-12(2)17(8-11)24-19(27)18-9-13(3)23-20(26-18)25-16-7-6-14(21)10-15(16)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).