2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C14H17N3OS — CID 133404349

IUPAC2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CC3CCC2O3)c2ccsc2n1
InChIInChI=1S/C14H17N3OS/c1-2-12-16-13(9-5-6-19-14(9)17-12)15-10-7-8-3-4-11(10)18-8/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyFQJPVALZPMDMJW-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.99
Rot. Bonds3

About 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404349) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133404349
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CC3CCC2O3)c2ccsc2n1
InChIInChI=1S/C14H17N3OS/c1-2-12-16-13(9-5-6-19-14(9)17-12)15-10-7-8-3-4-11(10)18-8/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyFQJPVALZPMDMJW-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)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-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133403799
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403347
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
CID 80719667
N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403059
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403719
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 133405482
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404145
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404236

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133404349) is 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CC3CCC2O3)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FQJPVALZPMDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-12-16-13(9-5-6-19-14(9)17-12)15-10-7-8-3-4-11(10)18-8/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).