2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H19N3O — CID 55241641

IUPAC2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCCOC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c14-12-10-5-1-2-6-11(10)15-13(16-12)9-4-3-7-17-8-9/h9H,1-8H2,(H2,14,15,16)
InChIKeyZIAUBAQWMYAPOX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.83
Rot. Bonds1

About 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 55241641) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID55241641
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCCOC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c14-12-10-5-1-2-6-11(10)15-13(16-12)9-4-3-7-17-8-9/h9H,1-8H2,(H2,14,15,16)
InChIKeyZIAUBAQWMYAPOX-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 55241641) is 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(C2CCCOC2)nc2c1CCCC2.
What is the InChIKey of 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ZIAUBAQWMYAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-10-5-1-2-6-11(10)15-13(16-12)9-4-3-7-17-8-9/h9H,1-8H2,(H2,14,15,16).
What are the key properties of 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 55241641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).