N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide

C10H10ClN5O2S — CID 155529643

IUPACN-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cnc1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)16-8-2-6(3-13-9(8)11)7-4-14-10(12)15-5-7/h2-5,16H,1H3,(H2,12,14,15)
InChIKeyUOVJJXVNDPWWSU-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.15
Rot. Bonds3

About N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide

N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide (PubChem CID 155529643) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide
PubChem CID155529643
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC NameN-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cnc1Cl
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)16-8-2-6(3-13-9(8)11)7-4-14-10(12)15-5-7/h2-5,16H,1H3,(H2,12,14,15)
InChIKeyUOVJJXVNDPWWSU-UHFFFAOYSA-N
XLogP1.15
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide (CID 155529643) is N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cnc1Cl.
What is the InChIKey of N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide?
The InChIKey is UOVJJXVNDPWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-19(17,18)16-8-2-6(3-13-9(8)11)7-4-14-10(12)15-5-7/h2-5,16H,1H3,(H2,12,14,15).
What are the key properties of N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide?
N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide has a molecular weight of 299.74 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-5-yl)-2-chloro-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155529643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).