4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one

C11H17N3O — CID 123625669

IUPAC4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one
SMILESCC1=CC(C)(C)CC2C(N)=NC(=O)NC12
InChIInChI=1S/C11H17N3O/c1-6-4-11(2,3)5-7-8(6)13-10(15)14-9(7)12/h4,7-8H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyBEYHBWKXHRPZQU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.43
Rot. Bonds

About 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one

4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one (PubChem CID 123625669) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one
PubChem CID123625669
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one
SMILESCC1=CC(C)(C)CC2C(N)=NC(=O)NC12
InChIInChI=1S/C11H17N3O/c1-6-4-11(2,3)5-7-8(6)13-10(15)14-9(7)12/h4,7-8H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyBEYHBWKXHRPZQU-UHFFFAOYSA-N
XLogP1.43
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-4-amino-5-methyl-1,5-dihydroimidazol-2-one
CID 124512317
4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79961898
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
6,9-diamino-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodeca-5,9-diene-4,11-dione
CID 118987303
4-amino-5-[4-(dimethylamino)phenyl]-1,5-dihydroimidazol-2-one
CID 79962105
4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961733
4-amino-6-methyl-4a,8a-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 144887258
4-amino-5-(3-cyclopropylphenyl)-1,5-dihydroimidazol-2-one
CID 79962290
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
CID 79960449
6-(5-bromo-2-hydroxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
CID 91122856
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one?
The IUPAC name of 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one (CID 123625669) is 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one.
What is the SMILES notation for 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one?
The canonical SMILES for 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one is CC1=CC(C)(C)CC2C(N)=NC(=O)NC12.
What is the InChIKey of 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one?
The InChIKey is BEYHBWKXHRPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6-4-11(2,3)5-7-8(6)13-10(15)14-9(7)12/h4,7-8H,5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one?
4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,6,8-trimethyl-1,4a,5,8a-tetrahydroquinazolin-2-one is sourced from PubChem (CID 123625669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).