2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C11H9N3OS — CID 59277997

IUPAC2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C11H9N3OS/c1-6-2-3-8(15-6)10-13-9(12)7-4-5-16-11(7)14-10/h2-5H,1H3,(H2,12,13,14)
InChIKeyDGQVGYRTJCHHBD-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.84
Rot. Bonds1

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

2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59277997) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59277997
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3ccsc3n2)o1
InChIInChI=1S/C11H9N3OS/c1-6-2-3-8(15-6)10-13-9(12)7-4-5-16-11(7)14-10/h2-5H,1H3,(H2,12,13,14)
InChIKeyDGQVGYRTJCHHBD-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59277997) is 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3ccsc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DGQVGYRTJCHHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-2-3-8(15-6)10-13-9(12)7-4-5-16-11(7)14-10/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 231.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59277997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).