6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one

C15H23N5O — CID 136808930

IUPAC6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
SMILESCCN(CC)CC(C)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H23N5O/c1-4-20(5-2)9-10(3)17-15-18-13-7-6-11(16)8-12(13)14(21)19-15/h6-8,10H,4-5,9,16H2,1-3H3,(H2,17,18,19,21)
InChIKeyGRCCCZDZQVIXNV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds6

About 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one

6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one (PubChem CID 136808930) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
PubChem CID136808930
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
SMILESCCN(CC)CC(C)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H23N5O/c1-4-20(5-2)9-10(3)17-15-18-13-7-6-11(16)8-12(13)14(21)19-15/h6-8,10H,4-5,9,16H2,1-3H3,(H2,17,18,19,21)
InChIKeyGRCCCZDZQVIXNV-UHFFFAOYSA-N
XLogP1.65
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(heptan-2-ylamino)-3H-quinazolin-4-one
CID 136808811
6-amino-2-(4-hydroxypentan-2-ylamino)-3H-quinazolin-4-one
CID 136809233
6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
CID 136808768
6-amino-2-[(1-hydroxy-4-methylpentan-3-yl)amino]-3H-quinazolin-4-one
CID 136784856
6-amino-2-(hexan-3-ylamino)-3H-quinazolin-4-one
CID 136808941
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
CID 136809010
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-3-methylbutanamide
CID 136784827
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136901105
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
CID 136809224
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 136757554

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one (CID 136808930) is 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one is CCN(CC)CC(C)Nc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one?
The InChIKey is GRCCCZDZQVIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-20(5-2)9-10(3)17-15-18-13-7-6-11(16)8-12(13)14(21)19-15/h6-8,10H,4-5,9,16H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one?
6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).