2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine

C13H17N3S2 — CID 133485407

IUPAC2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCSC2)c2c(C)csc2n1
InChIInChI=1S/C13H17N3S2/c1-8-6-18-13-11(8)12(14-9(2)15-13)16-10-4-3-5-17-7-10/h6,10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyIXCIYQQBVLOLFA-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.62
Rot. Bonds2

About 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine

2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133485407) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133485407
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCSC2)c2c(C)csc2n1
InChIInChI=1S/C13H17N3S2/c1-8-6-18-13-11(8)12(14-9(2)15-13)16-10-4-3-5-17-7-10/h6,10H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyIXCIYQQBVLOLFA-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133485407) is 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CCCSC2)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IXCIYQQBVLOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-8-6-18-13-11(8)12(14-9(2)15-13)16-10-4-3-5-17-7-10/h6,10H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133485407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).