1,3,6-trimethylquinazoline-2,4-dione

C11H12N2O2 — CID 58376355

IUPAC1,3,6-trimethylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2/c1-7-4-5-9-8(6-7)10(14)13(3)11(15)12(9)2/h4-6H,1-3H3
InChIKeySKBGBEOLOOYKFJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.55
Rot. Bonds

About 1,3,6-trimethylquinazoline-2,4-dione

1,3,6-trimethylquinazoline-2,4-dione (PubChem CID 58376355) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,3,6-trimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethylquinazoline-2,4-dione
PubChem CID58376355
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1,3,6-trimethylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2/c1-7-4-5-9-8(6-7)10(14)13(3)11(15)12(9)2/h4-6H,1-3H3
InChIKeySKBGBEOLOOYKFJ-UHFFFAOYSA-N
XLogP0.55
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262568
1-ethyl-2,5-dimethylindazol-3-one
CID 137435708
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
1-amino-3,5-dimethylbenzimidazol-2-one
CID 112545294
6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115027881
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 753685

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylquinazoline-2,4-dione?
The IUPAC name of 1,3,6-trimethylquinazoline-2,4-dione (CID 58376355) is 1,3,6-trimethylquinazoline-2,4-dione.
What is the SMILES notation for 1,3,6-trimethylquinazoline-2,4-dione?
The canonical SMILES for 1,3,6-trimethylquinazoline-2,4-dione is Cc1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethylquinazoline-2,4-dione?
The InChIKey is SKBGBEOLOOYKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-5-9-8(6-7)10(14)13(3)11(15)12(9)2/h4-6H,1-3H3.
What are the key properties of 1,3,6-trimethylquinazoline-2,4-dione?
1,3,6-trimethylquinazoline-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylquinazoline-2,4-dione is sourced from PubChem (CID 58376355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).