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

C20H17F2N5O2 — CID 109337862

IUPAC2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H17F2N5O2/c1-11-9-17(19(29)27-18-15(21)7-4-8-16(18)22)26-20(23-11)25-14-6-3-5-13(10-14)24-12(2)28/h3-10H,1-2H3,(H,24,28)(H,27,29)(H,23,25,26)
InChIKeyKCBUXPQWTCAUKI-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.02
Rot. Bonds5

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

2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337862) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337862
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H17F2N5O2/c1-11-9-17(19(29)27-18-15(21)7-4-8-16(18)22)26-20(23-11)25-14-6-3-5-13(10-14)24-12(2)28/h3-10H,1-2H3,(H,24,28)(H,27,29)(H,23,25,26)
InChIKeyKCBUXPQWTCAUKI-UHFFFAOYSA-N
XLogP4.02
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335897
2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109337862) is 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KCBUXPQWTCAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-11-9-17(19(29)27-18-15(21)7-4-8-16(18)22)26-20(23-11)25-14-6-3-5-13(10-14)24-12(2)28/h3-10H,1-2H3,(H,24,28)(H,27,29)(H,23,25,26).
What are the key properties of 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).