6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine

C10H14ClN3S — CID 80547230

IUPAC6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCC2CC2)n1
InChIInChI=1S/C10H14ClN3S/c1-15-10-13-8(11)6-9(14-10)12-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyXNJSGOVSVKXKPC-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.06
Rot. Bonds5

About 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80547230) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80547230
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCC2CC2)n1
InChIInChI=1S/C10H14ClN3S/c1-15-10-13-8(11)6-9(14-10)12-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyXNJSGOVSVKXKPC-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-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 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine (CID 80547230) is 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(NCCC2CC2)n1.
What is the InChIKey of 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XNJSGOVSVKXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-15-10-13-8(11)6-9(14-10)12-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 243.76 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80547230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).