3-(dimethylamino)-1H-quinazoline-2,4-dione

C10H11N3O2 — CID 3058904

IUPAC3-(dimethylamino)-1H-quinazoline-2,4-dione
SMILESCN(C)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-12(2)13-9(14)7-5-3-4-6-8(7)11-10(13)15/h3-6H,1-2H3,(H,11,15)
InChIKeyDDXYEAZJCJNNCV-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.11
Rot. Bonds1

About 3-(dimethylamino)-1H-quinazoline-2,4-dione

3-(dimethylamino)-1H-quinazoline-2,4-dione (PubChem CID 3058904) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(dimethylamino)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(dimethylamino)-1H-quinazoline-2,4-dione
PubChem CID3058904
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(dimethylamino)-1H-quinazoline-2,4-dione
SMILESCN(C)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-12(2)13-9(14)7-5-3-4-6-8(7)11-10(13)15/h3-6H,1-2H3,(H,11,15)
InChIKeyDDXYEAZJCJNNCV-UHFFFAOYSA-N
XLogP-0.11
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
CID 39143122
3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
CID 42956973
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-methyl-10H-imidazo[2,1-b]quinazolin-5-one
CID 10703152
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093
3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
CID 30804945

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(dimethylamino)-1H-quinazoline-2,4-dione (CID 3058904) is 3-(dimethylamino)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(dimethylamino)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(dimethylamino)-1H-quinazoline-2,4-dione is CN(C)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(dimethylamino)-1H-quinazoline-2,4-dione?
The InChIKey is DDXYEAZJCJNNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12(2)13-9(14)7-5-3-4-6-8(7)11-10(13)15/h3-6H,1-2H3,(H,11,15).
What are the key properties of 3-(dimethylamino)-1H-quinazoline-2,4-dione?
3-(dimethylamino)-1H-quinazoline-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3058904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).