2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C15H23N3O2 — CID 116775670

IUPAC2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC1(c2nc(N)c3c(n2)CCCC3)CCOCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(7-9-19-10-8-15)14-17-12-6-4-3-5-11(12)13(16)18-14/h2-10H2,1H3,(H2,16,17,18)
InChIKeyUMDLXNNRMFZUJS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116775670) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116775670
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC1(c2nc(N)c3c(n2)CCCC3)CCOCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(7-9-19-10-8-15)14-17-12-6-4-3-5-11(12)13(16)18-14/h2-10H2,1H3,(H2,16,17,18)
InChIKeyUMDLXNNRMFZUJS-UHFFFAOYSA-N
XLogP1.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
2-(1-methoxy-4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775540
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
CID 116782235
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
[2-(4-ethoxyoxan-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 116777758
2-(4-ethoxyoxan-4-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777361
ethyl 4-amino-2-(4-ethoxyoxan-4-yl)pyrimidine-5-carboxylate
CID 116782896
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470638

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116775670) is 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCOC1(c2nc(N)c3c(n2)CCCC3)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is UMDLXNNRMFZUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-15(7-9-19-10-8-15)14-17-12-6-4-3-5-11(12)13(16)18-14/h2-10H2,1H3,(H2,16,17,18).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116775670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).