5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N3S2 — CID 2062923

IUPAC5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cccs3)c2c1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyKLHVRBIPSAKIKO-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.98
Rot. Bonds3

About 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2062923) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2062923
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cccs3)c2c1C
InChIInChI=1S/C13H13N3S2/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyKLHVRBIPSAKIKO-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2062923) is 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3cccs3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KLHVRBIPSAKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).