2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine

C9H11N5S — CID 62408019

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine
SMILESCc1cc(Sc2ncc(N)cn2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-3-8(14(2)13-6)15-9-11-4-7(10)5-12-9/h3-5H,10H2,1-2H3
InChIKeyCCRFNKBBHZLRNB-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.25
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine

2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine (PubChem CID 62408019) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine
PubChem CID62408019
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine
SMILESCc1cc(Sc2ncc(N)cn2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-3-8(14(2)13-6)15-9-11-4-7(10)5-12-9/h3-5H,10H2,1-2H3
InChIKeyCCRFNKBBHZLRNB-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine 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 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine (CID 62408019) is 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine is Cc1cc(Sc2ncc(N)cn2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine?
The InChIKey is CCRFNKBBHZLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-3-8(14(2)13-6)15-9-11-4-7(10)5-12-9/h3-5H,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine?
2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine has a molecular weight of 221.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 62408019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).