[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine

C11H17N3S — CID 83823095

IUPAC[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine
SMILESCc1ncc(C2(CN)CCCSC2)cn1
InChIInChI=1S/C11H17N3S/c1-9-13-5-10(6-14-9)11(7-12)3-2-4-15-8-11/h5-6H,2-4,7-8,12H2,1H3
InChIKeyXCAWTDBPQIYNDQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.51
Rot. Bonds2

About [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine

[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine (PubChem CID 83823095) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine
PubChem CID83823095
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine
SMILESCc1ncc(C2(CN)CCCSC2)cn1
InChIInChI=1S/C11H17N3S/c1-9-13-5-10(6-14-9)11(7-12)3-2-4-15-8-11/h5-6H,2-4,7-8,12H2,1H3
InChIKeyXCAWTDBPQIYNDQ-UHFFFAOYSA-N
XLogP1.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine?
The IUPAC name of [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine (CID 83823095) is [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine.
What is the SMILES notation for [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine?
The canonical SMILES for [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine is Cc1ncc(C2(CN)CCCSC2)cn1.
What is the InChIKey of [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine?
The InChIKey is XCAWTDBPQIYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-9-13-5-10(6-14-9)11(7-12)3-2-4-15-8-11/h5-6H,2-4,7-8,12H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine?
[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine has a molecular weight of 223.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine is sourced from PubChem (CID 83823095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).