(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine

C10H17N3S — CID 96570656

IUPAC(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCC[C@@H](N)CSc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3S/c1-4-9(11)6-14-10-12-7(2)5-8(3)13-10/h5,9H,4,6,11H2,1-3H3/t9-/m1/s1
InChIKeyIIHLYJYPTWDWSY-SECBINFHSA-N
MW211.33 g/mol
LogP1.92
Rot. Bonds4

About (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine

(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine (PubChem CID 96570656) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
PubChem CID96570656
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
SMILESCC[C@@H](N)CSc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3S/c1-4-9(11)6-14-10-12-7(2)5-8(3)13-10/h5,9H,4,6,11H2,1-3H3/t9-/m1/s1
InChIKeyIIHLYJYPTWDWSY-SECBINFHSA-N
XLogP1.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The IUPAC name of (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine (CID 96570656) is (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine.
What is the SMILES notation for (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The canonical SMILES for (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine is CC[C@@H](N)CSc1nc(C)cc(C)n1.
What is the InChIKey of (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
The InChIKey is IIHLYJYPTWDWSY-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-9(11)6-14-10-12-7(2)5-8(3)13-10/h5,9H,4,6,11H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine?
(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 96570656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).