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

C12H15N3S3 — CID 79966652

IUPAC2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCS2)nc2sccc12
InChIInChI=1S/C12H15N3S3/c1-2-13-10-8-3-4-18-12(8)15-11(14-10)9-7-16-5-6-17-9/h3-4,9H,2,5-7H2,1H3,(H,13,14,15)
InChIKeyLUDCJUUDMODMHH-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.64
Rot. Bonds3

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

2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79966652) has the molecular formula C12H15N3S3 and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79966652
Molecular FormulaC12H15N3S3
Molecular Weight297.47 g/mol
Exact Mass297.04
IUPAC Name2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCS2)nc2sccc12
InChIInChI=1S/C12H15N3S3/c1-2-13-10-8-3-4-18-12(8)15-11(14-10)9-7-16-5-6-17-9/h3-4,9H,2,5-7H2,1H3,(H,13,14,15)
InChIKeyLUDCJUUDMODMHH-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
4-N-(1,4-dithian-2-ylmethyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330218
[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965315
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 115388443
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79968552
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 79966652) is 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C2CSCCS2)nc2sccc12.
What is the InChIKey of 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LUDCJUUDMODMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S3/c1-2-13-10-8-3-4-18-12(8)15-11(14-10)9-7-16-5-6-17-9/h3-4,9H,2,5-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.47 g/mol, XLogP of 3.64, 3 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)-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79966652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).