N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide

C12H13ClN4O2S — CID 68726786

IUPACN-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
SMILESCc1nc(N)ncc1-c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H13ClN4O2S/c1-7-9(6-15-12(14)16-7)8-3-4-10(13)11(5-8)17-20(2,18)19/h3-6,17H,1-2H3,(H2,14,15,16)
InChIKeyBDPWFUQZZYKAFD-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.06
Rot. Bonds3

About N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide

N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide (PubChem CID 68726786) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
PubChem CID68726786
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
SMILESCc1nc(N)ncc1-c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H13ClN4O2S/c1-7-9(6-15-12(14)16-7)8-3-4-10(13)11(5-8)17-20(2,18)19/h3-6,17H,1-2H3,(H2,14,15,16)
InChIKeyBDPWFUQZZYKAFD-UHFFFAOYSA-N
XLogP2.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide (CID 68726786) is N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide is Cc1nc(N)ncc1-c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide?
The InChIKey is BDPWFUQZZYKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-7-9(6-15-12(14)16-7)8-3-4-10(13)11(5-8)17-20(2,18)19/h3-6,17H,1-2H3,(H2,14,15,16).
What are the key properties of N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide?
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 68726786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).