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

C13H17N3OS — CID 103987764

IUPAC6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(CC3CCOC3)nc2s1
InChIInChI=1S/C13H17N3OS/c1-2-9-6-10-12(14)15-11(16-13(10)18-9)5-8-3-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyJUZYXRBXTYLCJI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.41
Rot. Bonds3

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

6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103987764) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103987764
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(CC3CCOC3)nc2s1
InChIInChI=1S/C13H17N3OS/c1-2-9-6-10-12(14)15-11(16-13(10)18-9)5-8-3-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyJUZYXRBXTYLCJI-UHFFFAOYSA-N
XLogP2.41
TPSA61.03 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103987764) is 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(CC3CCOC3)nc2s1.
What is the InChIKey of 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JUZYXRBXTYLCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-9-6-10-12(14)15-11(16-13(10)18-9)5-8-3-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,14,15,16).
What are the key properties of 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103987764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).