N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

C15H15ClN8O2S — CID 59548384

IUPACN-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)cc(-c2nccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H15ClN8O2S/c1-8-21-10(6-12(17)22-8)13-15(19-4-3-18-13)23-9-5-11(14(16)20-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,19,23)(H2,17,21,22)
InChIKeyCWPHWCHBHFIOLA-UHFFFAOYSA-N
MW406.86 g/mol
LogP1.99
Rot. Bonds5

About N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (PubChem CID 59548384) has the molecular formula C15H15ClN8O2S and a molecular weight of 406.86 g/mol. Its IUPAC name is N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
PubChem CID59548384
Molecular FormulaC15H15ClN8O2S
Molecular Weight406.86 g/mol
Exact Mass406.07
IUPAC NameN-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)cc(-c2nccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H15ClN8O2S/c1-8-21-10(6-12(17)22-8)13-15(19-4-3-18-13)23-9-5-11(14(16)20-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,19,23)(H2,17,21,22)
InChIKeyCWPHWCHBHFIOLA-UHFFFAOYSA-N
XLogP1.99
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (CID 59548384) is N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is Cc1nc(N)cc(-c2nccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The InChIKey is CWPHWCHBHFIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN8O2S/c1-8-21-10(6-12(17)22-8)13-15(19-4-3-18-13)23-9-5-11(14(16)20-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,19,23)(H2,17,21,22).
What are the key properties of N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide has a molecular weight of 406.86 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(6-amino-2-methylpyrimidin-4-yl)pyrazin-2-yl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).