1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine

C8H12N4S — CID 106973164

IUPAC1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine
SMILESCSc1cc(NC2CC2N)ncn1
InChIInChI=1S/C8H12N4S/c1-13-8-3-7(10-4-11-8)12-6-2-5(6)9/h3-6H,2,9H2,1H3,(H,10,11,12)
InChIKeyNEIGQOAPTIJRBU-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.71
Rot. Bonds3

About 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine

1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine (PubChem CID 106973164) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine
PubChem CID106973164
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine
SMILESCSc1cc(NC2CC2N)ncn1
InChIInChI=1S/C8H12N4S/c1-13-8-3-7(10-4-11-8)12-6-2-5(6)9/h3-6H,2,9H2,1H3,(H,10,11,12)
InChIKeyNEIGQOAPTIJRBU-UHFFFAOYSA-N
XLogP0.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-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 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine?
The IUPAC name of 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine (CID 106973164) is 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine?
The canonical SMILES for 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine is CSc1cc(NC2CC2N)ncn1.
What is the InChIKey of 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine?
The InChIKey is NEIGQOAPTIJRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-13-8-3-7(10-4-11-8)12-6-2-5(6)9/h3-6H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine?
1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine has a molecular weight of 196.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine is sourced from PubChem (CID 106973164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).