1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine

C10H15N3S — CID 164644483

IUPAC1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
SMILESCC(N)c1ccnc(C2CCSC2)n1
InChIInChI=1S/C10H15N3S/c1-7(11)9-2-4-12-10(13-9)8-3-5-14-6-8/h2,4,7-8H,3,5-6,11H2,1H3
InChIKeyKCCUJBUBPHDRKN-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.72
Rot. Bonds2

About 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine

1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine (PubChem CID 164644483) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
PubChem CID164644483
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
SMILESCC(N)c1ccnc(C2CCSC2)n1
InChIInChI=1S/C10H15N3S/c1-7(11)9-2-4-12-10(13-9)8-3-5-14-6-8/h2,4,7-8H,3,5-6,11H2,1H3
InChIKeyKCCUJBUBPHDRKN-UHFFFAOYSA-N
XLogP1.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine (CID 164644483) is 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine is CC(N)c1ccnc(C2CCSC2)n1.
What is the InChIKey of 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is KCCUJBUBPHDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(11)9-2-4-12-10(13-9)8-3-5-14-6-8/h2,4,7-8H,3,5-6,11H2,1H3.
What are the key properties of 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine?
1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 209.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 164644483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).