6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one

C15H16N4OS — CID 136809010

IUPAC6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
SMILESCC(Cc1cccs1)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H16N4OS/c1-9(7-11-3-2-6-21-11)17-15-18-13-5-4-10(16)8-12(13)14(20)19-15/h2-6,8-9H,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyQQATZBPWEQLENS-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.61
Rot. Bonds4

About 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one

6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one (PubChem CID 136809010) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
PubChem CID136809010
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
SMILESCC(Cc1cccs1)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H16N4OS/c1-9(7-11-3-2-6-21-11)17-15-18-13-5-4-10(16)8-12(13)14(20)19-15/h2-6,8-9H,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyQQATZBPWEQLENS-UHFFFAOYSA-N
XLogP2.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.61
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-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136809074
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282
6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
CID 136808768
6-amino-2-(hexan-3-ylamino)-3H-quinazolin-4-one
CID 136808941
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-3-methylbutanamide
CID 136784827
6-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136808817
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
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one (CID 136809010) is 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one is CC(Cc1cccs1)Nc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one?
The InChIKey is QQATZBPWEQLENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9(7-11-3-2-6-21-11)17-15-18-13-5-4-10(16)8-12(13)14(20)19-15/h2-6,8-9H,7,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one?
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one has a molecular weight of 300.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136809010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).