[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C13H19N3O — CID 81423847

IUPAC[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(C3CCCO3)ncc2C1
InChIInChI=1S/C13H19N3O/c14-7-9-3-4-11-10(6-9)8-15-13(16-11)12-2-1-5-17-12/h8-9,12H,1-7,14H2
InChIKeyQODPFXMQNLTFHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.39
Rot. Bonds2

About [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81423847) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81423847
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(C3CCCO3)ncc2C1
InChIInChI=1S/C13H19N3O/c14-7-9-3-4-11-10(6-9)8-15-13(16-11)12-2-1-5-17-12/h8-9,12H,1-7,14H2
InChIKeyQODPFXMQNLTFHT-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81423847) is [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is NCC1CCc2nc(C3CCCO3)ncc2C1.
What is the InChIKey of [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is QODPFXMQNLTFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-9-3-4-11-10(6-9)8-15-13(16-11)12-2-1-5-17-12/h8-9,12H,1-7,14H2.
What are the key properties of [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81423847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).