6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione

C10H12N2O2 — CID 175959908

IUPAC6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CCc2[nH]c(=O)ncc2C1=O
InChIInChI=1S/C10H12N2O2/c1-10(2)4-3-7-6(8(10)13)5-11-9(14)12-7/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyKRXIAEJNPXZSJX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.93
Rot. Bonds

About 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione

6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione (PubChem CID 175959908) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione
PubChem CID175959908
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CCc2[nH]c(=O)ncc2C1=O
InChIInChI=1S/C10H12N2O2/c1-10(2)4-3-7-6(8(10)13)5-11-9(14)12-7/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyKRXIAEJNPXZSJX-UHFFFAOYSA-N
XLogP0.93
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione?
The IUPAC name of 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione (CID 175959908) is 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione is CC1(C)CCc2[nH]c(=O)ncc2C1=O.
What is the InChIKey of 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione?
The InChIKey is KRXIAEJNPXZSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-10(2)4-3-7-6(8(10)13)5-11-9(14)12-7/h5H,3-4H2,1-2H3,(H,11,12,14).
What are the key properties of 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione?
6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione has a molecular weight of 192.22 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7,8-dihydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 175959908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).