2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

C12H15N3S3 — CID 79965495

IUPAC2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CSCCS3)nc2s1
InChIInChI=1S/C12H15N3S3/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-16-3-4-17-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyKKKLLFLWZCWMFG-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.36
Rot. Bonds2

About 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79965495) has the molecular formula C12H15N3S3 and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79965495
Molecular FormulaC12H15N3S3
Molecular Weight297.47 g/mol
Exact Mass297.04
IUPAC Name2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CSCCS3)nc2s1
InChIInChI=1S/C12H15N3S3/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-16-3-4-17-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyKKKLLFLWZCWMFG-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 79965495) is 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(C3CSCCS3)nc2s1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KKKLLFLWZCWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S3/c1-2-7-5-8-10(13)14-11(15-12(8)18-7)9-6-16-3-4-17-9/h5,9H,2-4,6H2,1H3,(H2,13,14,15).
What are the key properties of 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79965495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).