4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine

C10H10ClN5O2S — CID 172624279

IUPAC4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyXHSBEYKPYDEIAN-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.25
Rot. Bonds3

About 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine

4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 172624279) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
PubChem CID172624279
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyXHSBEYKPYDEIAN-UHFFFAOYSA-N
XLogP1.25
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine (CID 172624279) is 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine is CS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1.
What is the InChIKey of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The InChIKey is XHSBEYKPYDEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 299.74 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 172624279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).