3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine

C10H17N3S — CID 64632124

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1cc(C)nc(SC(C)C(C)N)n1
InChIInChI=1S/C10H17N3S/c1-6-5-7(2)13-10(12-6)14-9(4)8(3)11/h5,8-9H,11H2,1-4H3
InChIKeyKNOLSNBNXGRONC-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.92
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine

3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine (PubChem CID 64632124) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
PubChem CID64632124
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1cc(C)nc(SC(C)C(C)N)n1
InChIInChI=1S/C10H17N3S/c1-6-5-7(2)13-10(12-6)14-9(4)8(3)11/h5,8-9H,11H2,1-4H3
InChIKeyKNOLSNBNXGRONC-UHFFFAOYSA-N
XLogP1.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-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-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine (CID 64632124) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine is Cc1cc(C)nc(SC(C)C(C)N)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The InChIKey is KNOLSNBNXGRONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6-5-7(2)13-10(12-6)14-9(4)8(3)11/h5,8-9H,11H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 64632124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).