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

C15H23N3O2S — CID 116777361

IUPAC2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C2(OCC)CCOCC2)nc2c1CSC2
InChIInChI=1S/C15H23N3O2S/c1-3-16-13-11-9-21-10-12(11)17-14(18-13)15(20-4-2)5-7-19-8-6-15/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyZFYBZBQWLHKWLI-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.70
Rot. Bonds5

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

2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116777361) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116777361
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C2(OCC)CCOCC2)nc2c1CSC2
InChIInChI=1S/C15H23N3O2S/c1-3-16-13-11-9-21-10-12(11)17-14(18-13)15(20-4-2)5-7-19-8-6-15/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyZFYBZBQWLHKWLI-UHFFFAOYSA-N
XLogP2.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 116777758
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777429
N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 113373130
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116633288
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116777361) is 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(C2(OCC)CCOCC2)nc2c1CSC2.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is ZFYBZBQWLHKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-16-13-11-9-21-10-12(11)17-14(18-13)15(20-4-2)5-7-19-8-6-15/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116777361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).