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

C13H20N4O2S — CID 116777758

IUPAC[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nc3c(c(NN)n2)CSC3)CCOCC1
InChIInChI=1S/C13H20N4O2S/c1-2-19-13(3-5-18-6-4-13)12-15-10-8-20-7-9(10)11(16-12)17-14/h2-8,14H2,1H3,(H,15,16,17)
InChIKeyZBZQHVVERVVPMV-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.55
Rot. Bonds4

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

[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 116777758) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID116777758
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCCOC1(c2nc3c(c(NN)n2)CSC3)CCOCC1
InChIInChI=1S/C13H20N4O2S/c1-2-19-13(3-5-18-6-4-13)12-15-10-8-20-7-9(10)11(16-12)17-14/h2-8,14H2,1H3,(H,15,16,17)
InChIKeyZBZQHVVERVVPMV-UHFFFAOYSA-N
XLogP1.55
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777361
[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777429
[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
[2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777458
[2-(1-methoxypropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 116503122
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
[2-(thiophen-2-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201587
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 116777758) is [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is CCOC1(c2nc3c(c(NN)n2)CSC3)CCOCC1.
What is the InChIKey of [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ZBZQHVVERVVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-19-13(3-5-18-6-4-13)12-15-10-8-20-7-9(10)11(16-12)17-14/h2-8,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 296.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).