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

C8H13ClN4O2S — CID 79075773

IUPACN-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCc1cnc(Cl)nc1NCCNS(C)(=O)=O
InChIInChI=1S/C8H13ClN4O2S/c1-6-5-11-8(9)13-7(6)10-3-4-12-16(2,14)15/h5,12H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyKLGROHMDYFUXKW-UHFFFAOYSA-N
MW264.74 g/mol
LogP0.40
Rot. Bonds5

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

N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 79075773) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID79075773
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC NameN-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCc1cnc(Cl)nc1NCCNS(C)(=O)=O
InChIInChI=1S/C8H13ClN4O2S/c1-6-5-11-8(9)13-7(6)10-3-4-12-16(2,14)15/h5,12H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyKLGROHMDYFUXKW-UHFFFAOYSA-N
XLogP0.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 79075773) is N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is Cc1cnc(Cl)nc1NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is KLGROHMDYFUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-6-5-11-8(9)13-7(6)10-3-4-12-16(2,14)15/h5,12H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 264.74 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 79075773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).