3,5-dimethyl-4aH-quinazoline-2,4-dione

C10H10N2O2 — CID 72727203

IUPAC3,5-dimethyl-4aH-quinazoline-2,4-dione
SMILESCC1=CC=CC2=NC(=O)N(C)C(=O)C12
InChIInChI=1S/C10H10N2O2/c1-6-4-3-5-7-8(6)9(13)12(2)10(14)11-7/h3-5,8H,1-2H3
InChIKeyZEUWWQKOBAXEAI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.15
Rot. Bonds

About 3,5-dimethyl-4aH-quinazoline-2,4-dione

3,5-dimethyl-4aH-quinazoline-2,4-dione (PubChem CID 72727203) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3,5-dimethyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3,5-dimethyl-4aH-quinazoline-2,4-dione
PubChem CID72727203
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3,5-dimethyl-4aH-quinazoline-2,4-dione
SMILESCC1=CC=CC2=NC(=O)N(C)C(=O)C12
InChIInChI=1S/C10H10N2O2/c1-6-4-3-5-7-8(6)9(13)12(2)10(14)11-7/h3-5,8H,1-2H3
InChIKeyZEUWWQKOBAXEAI-UHFFFAOYSA-N
XLogP1.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 3,5-dimethyl-4aH-quinazoline-2,4-dione (CID 72727203) is 3,5-dimethyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3,5-dimethyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3,5-dimethyl-4aH-quinazoline-2,4-dione is CC1=CC=CC2=NC(=O)N(C)C(=O)C12.
What is the InChIKey of 3,5-dimethyl-4aH-quinazoline-2,4-dione?
The InChIKey is ZEUWWQKOBAXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-4-3-5-7-8(6)9(13)12(2)10(14)11-7/h3-5,8H,1-2H3.
What are the key properties of 3,5-dimethyl-4aH-quinazoline-2,4-dione?
3,5-dimethyl-4aH-quinazoline-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 72727203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).