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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82791715
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189057
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150235
2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208113
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62194594

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).