5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H17N3OS — CID 3156004

IUPAC5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CCCO3)c2c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h7,10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyUYKJFIWJEHIDLT-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.90
Rot. Bonds3

About 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 3156004) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID3156004
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CCCO3)c2c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h7,10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyUYKJFIWJEHIDLT-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.90
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-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 3156004) is 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC3CCCO3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UYKJFIWJEHIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-9(2)18-13-11(8)12(15-7-16-13)14-6-10-4-3-5-17-10/h7,10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3156004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).