2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H17F2N3OS — CID 103150487

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc2c1CSC2
InChIInChI=1S/C12H17F2N3OS/c1-2-15-12-8-6-19-7-9(8)16-11(17-12)3-4-18-5-10(13)14/h10H,2-7H2,1H3,(H,15,16,17)
InChIKeyNWUAESOLTDFPCV-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103150487) has the molecular formula C12H17F2N3OS and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103150487
Molecular FormulaC12H17F2N3OS
Molecular Weight289.35 g/mol
Exact Mass289.11
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc2c1CSC2
InChIInChI=1S/C12H17F2N3OS/c1-2-15-12-8-6-19-7-9(8)16-11(17-12)3-4-18-5-10(13)14/h10H,2-7H2,1H3,(H,15,16,17)
InChIKeyNWUAESOLTDFPCV-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-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-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 44209099
N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189902
N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190236
N-methyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190770
2-(3,3,3-Trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190864
2-(2,2,2-Trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190868
N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190897
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191096
N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191505
4-Chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 103146744
2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine
CID 103150326
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103150487) is 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(CCOCC(F)F)nc2c1CSC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is NWUAESOLTDFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3OS/c1-2-15-12-8-6-19-7-9(8)16-11(17-12)3-4-18-5-10(13)14/h10H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103150487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).