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

C20H16F2N4O2 — CID 112850806

IUPAC6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3c(F)cccc3F)nc(C)n2)c1
InChIInChI=1S/C20H16F2N4O2/c1-11(27)13-5-3-6-14(9-13)25-18-10-17(23-12(2)24-18)20(28)26-19-15(21)7-4-8-16(19)22/h3-10H,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyPTDWEFUNTZOYOM-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.26
Rot. Bonds5

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

6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850806) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850806
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3c(F)cccc3F)nc(C)n2)c1
InChIInChI=1S/C20H16F2N4O2/c1-11(27)13-5-3-6-14(9-13)25-18-10-17(23-12(2)24-18)20(28)26-19-15(21)7-4-8-16(19)22/h3-10H,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyPTDWEFUNTZOYOM-UHFFFAOYSA-N
XLogP4.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112877826
6-(3,4-difluoroanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849232
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112851224
6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373601
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
methyl 3-[[6-(3-chloroanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112850075
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112850176
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850806) is 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3c(F)cccc3F)nc(C)n2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PTDWEFUNTZOYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11(27)13-5-3-6-14(9-13)25-18-10-17(23-12(2)24-18)20(28)26-19-15(21)7-4-8-16(19)22/h3-10H,1-2H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).