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

C12H15N3OS — CID 114157912

IUPAC2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COCCC2CC2)nc2sccc12
InChIInChI=1S/C12H15N3OS/c13-11-9-4-6-17-12(9)15-10(14-11)7-16-5-3-8-1-2-8/h4,6,8H,1-3,5,7H2,(H2,13,14,15)
InChIKeyWGHQCKXKPGIYDI-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.59
Rot. Bonds5

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

2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114157912) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID114157912
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COCCC2CC2)nc2sccc12
InChIInChI=1S/C12H15N3OS/c13-11-9-4-6-17-12(9)15-10(14-11)7-16-5-3-8-1-2-8/h4,6,8H,1-3,5,7H2,(H2,13,14,15)
InChIKeyWGHQCKXKPGIYDI-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 114157912) is 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COCCC2CC2)nc2sccc12.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WGHQCKXKPGIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-11-9-4-6-17-12(9)15-10(14-11)7-16-5-3-8-1-2-8/h4,6,8H,1-3,5,7H2,(H2,13,14,15).
What are the key properties of 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114157912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).