[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C14H21N3O — CID 113362286

IUPAC[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CC3CCOC3)ncc2C1
InChIInChI=1S/C14H21N3O/c15-7-10-1-2-13-12(5-10)8-16-14(17-13)6-11-3-4-18-9-11/h8,10-11H,1-7,9,15H2
InChIKeyHJRUOIBZISFVAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.12
Rot. Bonds3

About [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 113362286) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID113362286
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CC3CCOC3)ncc2C1
InChIInChI=1S/C14H21N3O/c15-7-10-1-2-13-12(5-10)8-16-14(17-13)6-11-3-4-18-9-11/h8,10-11H,1-7,9,15H2
InChIKeyHJRUOIBZISFVAR-UHFFFAOYSA-N
XLogP1.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81423082
[2-[(3,5-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424927
[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425035
[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423847
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103150832
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425975
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423982
[2-(3,4-dichlorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81492708
2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493340
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 113362286) is [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is NCC1CCc2nc(CC3CCOC3)ncc2C1.
What is the InChIKey of [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is HJRUOIBZISFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-7-10-1-2-13-12(5-10)8-16-14(17-13)6-11-3-4-18-9-11/h8,10-11H,1-7,9,15H2.
What are the key properties of [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 113362286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).