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

C12H17N3O — CID 62312577

IUPAC2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C12H17N3O/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h8H,1-7H2,(H2,13,14,15)
InChIKeyCLVOQVKMDIXPGA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.44
Rot. Bonds1

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

2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62312577) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62312577
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C12H17N3O/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h8H,1-7H2,(H2,13,14,15)
InChIKeyCLVOQVKMDIXPGA-UHFFFAOYSA-N
XLogP1.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62312577) is 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(C2CCOC2)nc2c1CCCC2.
What is the InChIKey of 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CLVOQVKMDIXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h8H,1-7H2,(H2,13,14,15).
What are the key properties of 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62312577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).