5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C15H17N3S2 — CID 60634136

IUPAC5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H17N3S2/c1-4-7-16-14-12-9(2)10(3)20-15(12)18-13(17-14)11-6-5-8-19-11/h5-6,8H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyLUUJLKWRKLMXOO-UHFFFAOYSA-N
MW303.46 g/mol
LogP4.86
Rot. Bonds4

About 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60634136) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60634136
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H17N3S2/c1-4-7-16-14-12-9(2)10(3)20-15(12)18-13(17-14)11-6-5-8-19-11/h5-6,8H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyLUUJLKWRKLMXOO-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 54.86
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-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 60634136) is 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(-c2cccs2)nc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LUUJLKWRKLMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-4-7-16-14-12-9(2)10(3)20-15(12)18-13(17-14)11-6-5-8-19-11/h5-6,8H,4,7H2,1-3H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60634136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).