6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H17N3OS — CID 71602914

IUPAC6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CCCO2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C17H17N3OS/c18-15-13-10-12(9-11-5-2-1-3-6-11)22-17(13)20-16(19-15)14-7-4-8-21-14/h1-3,5-6,10,14H,4,7-9H2,(H2,18,19,20)
InChIKeyMFDGKTWFFVHPFX-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.72
Rot. Bonds3

About 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71602914) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71602914
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CCCO2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C17H17N3OS/c18-15-13-10-12(9-11-5-2-1-3-6-11)22-17(13)20-16(19-15)14-7-4-8-21-14/h1-3,5-6,10,14H,4,7-9H2,(H2,18,19,20)
InChIKeyMFDGKTWFFVHPFX-UHFFFAOYSA-N
XLogP3.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 71602914) is 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(C2CCCO2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MFDGKTWFFVHPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-15-13-10-12(9-11-5-2-1-3-6-11)22-17(13)20-16(19-15)14-7-4-8-21-14/h1-3,5-6,10,14H,4,7-9H2,(H2,18,19,20).
What are the key properties of 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71602914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).