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

C12H15N3OS — CID 80681411

IUPAC2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(c2nc(N)c3ccsc3n2)CCCCO1
InChIInChI=1S/C12H15N3OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyFGKOBAXOTKVJKJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.69
Rot. Bonds1

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

2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 80681411) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID80681411
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(c2nc(N)c3ccsc3n2)CCCCO1
InChIInChI=1S/C12H15N3OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyFGKOBAXOTKVJKJ-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 80681411) is 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC1(c2nc(N)c3ccsc3n2)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FGKOBAXOTKVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 80681411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).