3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine

C8H11Cl2N3S — CID 157023481

IUPAC3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
SMILESCSc1nc(Cl)c(CCCN)c(Cl)n1
InChIInChI=1S/C8H11Cl2N3S/c1-14-8-12-6(9)5(3-2-4-11)7(10)13-8/h2-4,11H2,1H3
InChIKeyRQCTWKKSDYRNDW-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.40
Rot. Bonds4

About 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine

3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine (PubChem CID 157023481) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
PubChem CID157023481
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine
SMILESCSc1nc(Cl)c(CCCN)c(Cl)n1
InChIInChI=1S/C8H11Cl2N3S/c1-14-8-12-6(9)5(3-2-4-11)7(10)13-8/h2-4,11H2,1H3
InChIKeyRQCTWKKSDYRNDW-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-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 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine (CID 157023481) is 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine is CSc1nc(Cl)c(CCCN)c(Cl)n1.
What is the InChIKey of 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
The InChIKey is RQCTWKKSDYRNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-14-8-12-6(9)5(3-2-4-11)7(10)13-8/h2-4,11H2,1H3.
What are the key properties of 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine?
3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine has a molecular weight of 252.17 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 157023481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).