5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C12H19N3O — CID 83862006

IUPAC5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1C(CN)CCC2
InChIInChI=1S/C12H19N3O/c1-7(2)11-10-8(6-13)4-3-5-9(10)14-12(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyLKWLZFQXMIVKTB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds2

About 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83862006) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83862006
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1C(CN)CCC2
InChIInChI=1S/C12H19N3O/c1-7(2)11-10-8(6-13)4-3-5-9(10)14-12(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyLKWLZFQXMIVKTB-UHFFFAOYSA-N
XLogP1.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one 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 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83862006) is 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC(C)c1nc(=O)[nH]c2c1C(CN)CCC2.
What is the InChIKey of 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is LKWLZFQXMIVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(2)11-10-8(6-13)4-3-5-9(10)14-12(16)15-11/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83862006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).