2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine

C10H11N5S — CID 130257206

IUPAC2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(SC3CC3)c2)n1
InChIInChI=1S/C10H11N5S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)16-8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyOGULCJGXUAQEAI-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine

2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 130257206) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID130257206
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(SC3CC3)c2)n1
InChIInChI=1S/C10H11N5S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)16-8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyOGULCJGXUAQEAI-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-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-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine (CID 130257206) is 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine is Nc1ccnc(-c2cnn(SC3CC3)c2)n1.
What is the InChIKey of 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is OGULCJGXUAQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)16-8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14).
What are the key properties of 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine?
2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 233.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 130257206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).