6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

C9H12ClN3S — CID 61277347

IUPAC6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)C1CCSC1
InChIInChI=1S/C9H12ClN3S/c1-13(7-2-3-14-5-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyWPCZDWJVVRRCSB-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.07
Rot. Bonds2

About 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 61277347) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID61277347
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)C1CCSC1
InChIInChI=1S/C9H12ClN3S/c1-13(7-2-3-14-5-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyWPCZDWJVVRRCSB-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-methyl-N-(thiolan-3-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 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 61277347) is 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is CN(c1cc(Cl)ncn1)C1CCSC1.
What is the InChIKey of 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is WPCZDWJVVRRCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c1-13(7-2-3-14-5-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 229.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 61277347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).