3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine

C11H19N3S — CID 64628587

IUPAC3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1cnc(SCC(N)C(C)(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-8-5-13-10(14-6-8)15-7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3
InChIKeyOBPXFSREUJRDHI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.25
Rot. Bonds3

About 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine

3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine (PubChem CID 64628587) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
PubChem CID64628587
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCc1cnc(SCC(N)C(C)(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-8-5-13-10(14-6-8)15-7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3
InChIKeyOBPXFSREUJRDHI-UHFFFAOYSA-N
XLogP2.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine (CID 64628587) is 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine is Cc1cnc(SCC(N)C(C)(C)C)nc1.
What is the InChIKey of 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine?
The InChIKey is OBPXFSREUJRDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-5-13-10(14-6-8)15-7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine?
3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 64628587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).