1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione

C12H15N3O2 — CID 117262591

IUPAC1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
SMILESCNCn1c(=O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C12H15N3O2/c1-8-4-5-10-9(6-8)11(16)15(7-13-2)12(17)14(10)3/h4-6,13H,7H2,1-3H3
InChIKeyNJNZUZRTOFZACM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.19
Rot. Bonds2

About 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione

1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione (PubChem CID 117262591) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
PubChem CID117262591
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
SMILESCNCn1c(=O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C12H15N3O2/c1-8-4-5-10-9(6-8)11(16)15(7-13-2)12(17)14(10)3/h4-6,13H,7H2,1-3H3
InChIKeyNJNZUZRTOFZACM-UHFFFAOYSA-N
XLogP0.19
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262610
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
4-[(1,6-dimethyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohepta-1,3,6-triene-1-carboxylic acid;ethane
CID 142859045
1-ethyl-2,5-dimethylindazol-3-one
CID 137435708
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974152
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The IUPAC name of 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione (CID 117262591) is 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The canonical SMILES for 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione is CNCn1c(=O)c2cc(C)ccc2n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The InChIKey is NJNZUZRTOFZACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-4-5-10-9(6-8)11(16)15(7-13-2)12(17)14(10)3/h4-6,13H,7H2,1-3H3.
What are the key properties of 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione?
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).