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

C13H17N3OS — CID 651273

IUPAC6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCO3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9/h6,8-9H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyLKFROTKIHSCCSP-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.84
Rot. Bonds4

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

6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 651273) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID651273
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCO3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9/h6,8-9H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyLKFROTKIHSCCSP-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 651273) is 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCCO3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LKFROTKIHSCCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-10-6-11-12(15-8-16-13(11)18-10)14-7-9-4-3-5-17-9/h6,8-9H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 651273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).