N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide

C12H12ClF3N6O2S — CID 168876564

IUPACN-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1nccnc1CNc1nc(Cl)ncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H12ClF3N6O2S/c1-22(25(2,23)24)10-8(17-3-4-18-10)6-19-9-7(12(14,15)16)5-20-11(13)21-9/h3-5H,6H2,1-2H3,(H,19,20,21)
InChIKeyGUHPTRXROTWMIT-UHFFFAOYSA-N
MW396.78 g/mol
LogP1.95
Rot. Bonds5

About N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide

N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide (PubChem CID 168876564) has the molecular formula C12H12ClF3N6O2S and a molecular weight of 396.78 g/mol. Its IUPAC name is N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
PubChem CID168876564
Molecular FormulaC12H12ClF3N6O2S
Molecular Weight396.78 g/mol
Exact Mass396.04
IUPAC NameN-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1nccnc1CNc1nc(Cl)ncc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H12ClF3N6O2S/c1-22(25(2,23)24)10-8(17-3-4-18-10)6-19-9-7(12(14,15)16)5-20-11(13)21-9/h3-5H,6H2,1-2H3,(H,19,20,21)
InChIKeyGUHPTRXROTWMIT-UHFFFAOYSA-N
XLogP1.95
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

2-chloro-N-[[2-[methyl-[methyl(dimethylidene)-λ6-sulfanyl]amino]-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 145498041
N-methyl-N-[3-[[[2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]methanesulfonamide
CID 168876737
2-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 90828656
N-[3-[[[2-(2-benzoylhydrazinyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 152770032
N-[3-[[[2-(4-dimethoxyphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 58293078
CID 162586721
CID 162586721
3-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 86627982
N-methyl-N-[3-[[[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 59606273
N-methyl-N-[4-methyl-3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 11577243
ethane;N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]-2-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 165067443
N-methyl-N-[3-[[[2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 168876522
N-[3-(aminomethyl)pyrazin-2-yl]-N-methylmethanesulfonamide;N-[3-(aminomethyl)pyrazin-2-yl]-N-(trideuteriomethyl)methanesulfonamide;1-(4-aminophenyl)propan-1-one;4-[(4-chloro-5-methylpyrimidin-2-yl)amino]-N-methylbenzamide;3-chloropyrazine-2-carbonitrile;N-(3-cyanopyrazin-2-yl)-N-(trideuteriomethyl)methanesulfonamide;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methanesulfonyl chloride;N-methyl-4-[[4-[[3-[methylsulfonyl(trideuteriomethyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;trideuteriomethanamine;N-(trideuteriomethyl)methanesulfonamide;hydrochloride
CID 165104110

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide (CID 168876564) is N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide is CN(c1nccnc1CNc1nc(Cl)ncc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is GUHPTRXROTWMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N6O2S/c1-22(25(2,23)24)10-8(17-3-4-18-10)6-19-9-7(12(14,15)16)5-20-11(13)21-9/h3-5H,6H2,1-2H3,(H,19,20,21).
What are the key properties of N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide?
N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 396.78 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 168876564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).