2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide

C26H24ClF2N11O2S3 — CID 160820234

IUPAC2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(F)c(Nc2nccnc2-c2cc(SC)ncn2)c1F.CSc1cc(-c2nccnc2Cl)ncn1
InChIInChI=1S/C17H17F2N7O2S2.C9H7ClN4S/c1-3-6-30(27,28)26-16-13(19)14(10(18)8-22-16)25-17-15(20-4-5-21-17)11-7-12(29-2)24-9-23-11;1-15-7-4-6(13-5-14-7)8-9(10)12-3-2-11-8/h4-5,7-9H,3,6H2,1-2H3,(H2,21,22,25,26);2-5H,1H3
InChIKeySFLITJFEXOUGQN-UHFFFAOYSA-N
MW692.20 g/mol
LogP5.53
Rot. Bonds10

About 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide

2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide (PubChem CID 160820234) has the molecular formula C26H24ClF2N11O2S3 and a molecular weight of 692.20 g/mol. Its IUPAC name is 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide
PubChem CID160820234
Molecular FormulaC26H24ClF2N11O2S3
Molecular Weight692.20 g/mol
Exact Mass691.09
IUPAC Name2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncc(F)c(Nc2nccnc2-c2cc(SC)ncn2)c1F.CSc1cc(-c2nccnc2Cl)ncn1
InChIInChI=1S/C17H17F2N7O2S2.C9H7ClN4S/c1-3-6-30(27,28)26-16-13(19)14(10(18)8-22-16)25-17-15(20-4-5-21-17)11-7-12(29-2)24-9-23-11;1-15-7-4-6(13-5-14-7)8-9(10)12-3-2-11-8/h4-5,7-9H,3,6H2,1-2H3,(H2,21,22,25,26);2-5H,1H3
InChIKeySFLITJFEXOUGQN-UHFFFAOYSA-N
XLogP5.53
TPSA174.21 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500692.20
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide with MolForge

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Related Compounds

N-[3,5-difluoro-4-[[3-[6-(2-methylsulfonylethylamino)pyrimidin-4-yl]pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide
CID 53353482
N-[3-chloro-4-[[3-[6-(ethylamino)pyrimidin-4-yl]pyrazin-2-yl]amino]-5-fluoro-2-pyridinyl]propane-1-sulfonamide
CID 53353483
N-(3,5-Difluoro-4-(3-(6-(methylthio)pyrimidin-4-yl)pyrazin-2-ylamino)pyridin-2-yl)propane-1-sulfonamide
CID 67367052
N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 151913366
4-Tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 158073035
N-(4-amino-3,5-difluoro-2-pyridinyl)propane-1-sulfonamide;2-chloro-3-(6-methylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide;N-[4-[[3-[6-(ethylamino)pyrimidin-4-yl]pyrazin-2-yl]amino]-3,5-difluoro-2-pyridinyl]propane-1-sulfonamide;methane
CID 162009437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide (CID 160820234) is 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ncc(F)c(Nc2nccnc2-c2cc(SC)ncn2)c1F.CSc1cc(-c2nccnc2Cl)ncn1.
What is the InChIKey of 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is SFLITJFEXOUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O2S2.C9H7ClN4S/c1-3-6-30(27,28)26-16-13(19)14(10(18)8-22-16)25-17-15(20-4-5-21-17)11-7-12(29-2)24-9-23-11;1-15-7-4-6(13-5-14-7)8-9(10)12-3-2-11-8/h4-5,7-9H,3,6H2,1-2H3,(H2,21,22,25,26);2-5H,1H3.
What are the key properties of 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide?
2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 692.20 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(6-methylsulfanylpyrimidin-4-yl)pyrazine;N-[3,5-difluoro-4-[[3-(6-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 160820234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).