2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine

C12H18ClN3S — CID 103064299

IUPAC2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NC2CCSC2)n1
InChIInChI=1S/C12H18ClN3S/c1-12(2,3)11-15-9(13)6-10(16-11)14-8-4-5-17-7-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeySNZRQGVMHMDMTM-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.34
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 103064299) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID103064299
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NC2CCSC2)n1
InChIInChI=1S/C12H18ClN3S/c1-12(2,3)11-15-9(13)6-10(16-11)14-8-4-5-17-7-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeySNZRQGVMHMDMTM-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-chloro-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 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine (CID 103064299) is 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NC2CCSC2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is SNZRQGVMHMDMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c1-12(2,3)11-15-9(13)6-10(16-11)14-8-4-5-17-7-8/h6,8H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 271.82 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).