6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one

C14H20N4O2 — CID 136808768

IUPAC6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
SMILESCC(C)CC(CO)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-8(2)5-10(7-19)16-14-17-12-4-3-9(15)6-11(12)13(20)18-14/h3-4,6,8,10,19H,5,7,15H2,1-2H3,(H2,16,17,18,20)
InChIKeyBMIZSGAPDVYQEL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds5

About 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one

6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 136808768) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
PubChem CID136808768
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
SMILESCC(C)CC(CO)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-8(2)5-10(7-19)16-14-17-12-4-3-9(15)6-11(12)13(20)18-14/h3-4,6,8,10,19H,5,7,15H2,1-2H3,(H2,16,17,18,20)
InChIKeyBMIZSGAPDVYQEL-UHFFFAOYSA-N
XLogP1.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-hydroxy-3-methylsulfanylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136901105
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-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
CID 136808930
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-3-methylbutanamide
CID 136784827
6-amino-2-(heptan-2-ylamino)-3H-quinazolin-4-one
CID 136808811
6-amino-2-[(2-ethyl-4-hydroxybutyl)amino]-3H-quinazolin-4-one
CID 136809168
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
CID 136809224
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
CID 136809010
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one (CID 136808768) is 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one is CC(C)CC(CO)Nc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is BMIZSGAPDVYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(2)5-10(7-19)16-14-17-12-4-3-9(15)6-11(12)13(20)18-14/h3-4,6,8,10,19H,5,7,15H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one?
6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).