2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H15N3OS — CID 83201340

IUPAC2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc3c(c(NC)n2)CSC3)o1
InChIInChI=1S/C13H15N3OS/c1-3-8-4-5-11(17-8)13-15-10-7-18-6-9(10)12(14-2)16-13/h4-5H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyQRIAOGPLMFGXQS-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.09
Rot. Bonds3

About 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201340) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201340
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc3c(c(NC)n2)CSC3)o1
InChIInChI=1S/C13H15N3OS/c1-3-8-4-5-11(17-8)13-15-10-7-18-6-9(10)12(14-2)16-13/h4-5H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyQRIAOGPLMFGXQS-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201340) is 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCc1ccc(-c2nc3c(c(NC)n2)CSC3)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is QRIAOGPLMFGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-8-4-5-11(17-8)13-15-10-7-18-6-9(10)12(14-2)16-13/h4-5H,3,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).