6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one

C15H22N4O — CID 136809224

IUPAC6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
SMILESCC(CNc1nc2ccc(N)cc2c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H22N4O/c1-9(15(2,3)4)8-17-14-18-12-6-5-10(16)7-11(12)13(20)19-14/h5-7,9H,8,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyBLWPYQQLCSYCTN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.60
Rot. Bonds3

About 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one

6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one (PubChem CID 136809224) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
PubChem CID136809224
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
SMILESCC(CNc1nc2ccc(N)cc2c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H22N4O/c1-9(15(2,3)4)8-17-14-18-12-6-5-10(16)7-11(12)13(20)19-14/h5-7,9H,8,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyBLWPYQQLCSYCTN-UHFFFAOYSA-N
XLogP2.60
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-2-[(2-ethyl-4-hydroxybutyl)amino]-3H-quinazolin-4-one
CID 136809168
6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one
CID 136852743
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-3-methylbutanamide
CID 136784827
6-amino-2-(2,2,3,3-tetrafluoropropylamino)-3H-quinazolin-4-one
CID 136819382
6-amino-2-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987740
6-amino-2-[(1-hydroxy-4-methylpentan-3-yl)amino]-3H-quinazolin-4-one
CID 136784856
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282
6-amino-2-(4-hydroxypentan-2-ylamino)-3H-quinazolin-4-one
CID 136809233
6-amino-2-(4,4,4-trifluorobutylamino)-3H-quinazolin-4-one
CID 136809200
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 136757554
6-bromo-2-(3,3-dimethylbutan-2-ylamino)-3H-quinazolin-4-one
CID 135439543

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one (CID 136809224) is 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one is CC(CNc1nc2ccc(N)cc2c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one?
The InChIKey is BLWPYQQLCSYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(15(2,3)4)8-17-14-18-12-6-5-10(16)7-11(12)13(20)19-14/h5-7,9H,8,16H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one?
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one has a molecular weight of 274.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136809224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).