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

C13H17N3S3 — CID 115388443

IUPAC2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H17N3S3/c1-3-9-10(18-7-6-17-9)12-15-11(14-2)8-4-5-19-13(8)16-12/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyWXTLZEYWJGMEQS-UHFFFAOYSA-N
MW311.50 g/mol
LogP4.03
Rot. Bonds3

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

2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 115388443) has the molecular formula C13H17N3S3 and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID115388443
Molecular FormulaC13H17N3S3
Molecular Weight311.50 g/mol
Exact Mass311.06
IUPAC Name2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H17N3S3/c1-3-9-10(18-7-6-17-9)12-15-11(14-2)8-4-5-19-13(8)16-12/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyWXTLZEYWJGMEQS-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 115388526
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79968552
2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 79966652
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 64985882
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(3-ethyl-2-pyridinyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82741495
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728413

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 115388443) is 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCC1SCCSC1c1nc(NC)c2ccsc2n1.
What is the InChIKey of 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WXTLZEYWJGMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S3/c1-3-9-10(18-7-6-17-9)12-15-11(14-2)8-4-5-19-13(8)16-12/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115388443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).