3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione

C13H16N2O3 — CID 117261338

IUPAC3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
SMILESCC(C)(C)Cn1c(=O)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C13H16N2O3/c1-13(2,3)7-15-11(17)9-6-8(16)4-5-10(9)14-12(15)18/h4-6,16H,7H2,1-3H3,(H,14,18)
InChIKeyPORUYHSOPNWROT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.44
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione

3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 117261338) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
PubChem CID117261338
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
SMILESCC(C)(C)Cn1c(=O)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C13H16N2O3/c1-13(2,3)7-15-11(17)9-6-8(16)4-5-10(9)14-12(15)18/h4-6,16H,7H2,1-3H3,(H,14,18)
InChIKeyPORUYHSOPNWROT-UHFFFAOYSA-N
XLogP1.44
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-6-fluoro-1H-quinazoline-2,4-dione
CID 117261331
3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
CID 117262745
3-(2,2-dimethylpropyl)-5-fluoro-1H-quinazoline-2,4-dione
CID 117261046
2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262789
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
3-tert-butyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261629
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
3-(2,2-dimethylpropyl)-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208309
3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 47475418
3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261298
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione (CID 117261338) is 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione is CC(C)(C)Cn1c(=O)[nH]c2ccc(O)cc2c1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is PORUYHSOPNWROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)7-15-11(17)9-6-8(16)4-5-10(9)14-12(15)18/h4-6,16H,7H2,1-3H3,(H,14,18).
What are the key properties of 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione?
3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).