6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine

C10H15N3S — CID 80637213

IUPAC6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(C2CCCS2)n1
InChIInChI=1S/C10H15N3S/c1-2-7-6-9(11)13-10(12-7)8-4-3-5-14-8/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyGURXCALFENMESO-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.19
Rot. Bonds2

About 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine

6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine (PubChem CID 80637213) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
PubChem CID80637213
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(C2CCCS2)n1
InChIInChI=1S/C10H15N3S/c1-2-7-6-9(11)13-10(12-7)8-4-3-5-14-8/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyGURXCALFENMESO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine (CID 80637213) is 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine is CCc1cc(N)nc(C2CCCS2)n1.
What is the InChIKey of 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine?
The InChIKey is GURXCALFENMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-7-6-9(11)13-10(12-7)8-4-3-5-14-8/h6,8H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine?
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine has a molecular weight of 209.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80637213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).