2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide

C17H16F2N6O — CID 166319718

IUPAC2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide
SMILESCNc1cc(-n2nc(C)cc2NC(=O)c2c(F)ccc(C)c2F)ncn1
InChIInChI=1S/C17H16F2N6O/c1-9-4-5-11(18)15(16(9)19)17(26)23-14-6-10(2)24-25(14)13-7-12(20-3)21-8-22-13/h4-8H,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyPZJXTBZSUJBYNO-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.85
Rot. Bonds4

About 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide

2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 166319718) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID166319718
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide
SMILESCNc1cc(-n2nc(C)cc2NC(=O)c2c(F)ccc(C)c2F)ncn1
InChIInChI=1S/C17H16F2N6O/c1-9-4-5-11(18)15(16(9)19)17(26)23-14-6-10(2)24-25(14)13-7-12(20-3)21-8-22-13/h4-8H,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyPZJXTBZSUJBYNO-UHFFFAOYSA-N
XLogP2.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide
CID 146142868
N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 90719951
N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine
CID 141200724
N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]benzamide
CID 59173673
1-[3-(1,1-difluoroethyl)phenyl]-3-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]urea
CID 59173343
5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 25057281
3-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 59173481
3-[1-(dimethylamino)ethyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68702675
3-[[tert-butyl(hydroxy)amino]methyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 88536126
3-[2-(dimethylamino)ethyl-methylamino]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68703958
3-[(E)-3-aminoprop-1-enyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68703008
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]ethanone
CID 59173683

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide (CID 166319718) is 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide is CNc1cc(-n2nc(C)cc2NC(=O)c2c(F)ccc(C)c2F)ncn1.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is PZJXTBZSUJBYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-9-4-5-11(18)15(16(9)19)17(26)23-14-6-10(2)24-25(14)13-7-12(20-3)21-8-22-13/h4-8H,1-3H3,(H,23,26)(H,20,21,22).
What are the key properties of 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide?
2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 358.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 166319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).