1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione

C13H17N3O2 — CID 117262593

IUPAC1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-8-5-6-11-10(7-8)12(17)16(9(2)14-3)13(18)15(11)4/h5-7,9,14H,1-4H3
InChIKeyXURJLOVHWOBQNX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.75
Rot. Bonds2

About 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione

1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione (PubChem CID 117262593) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
PubChem CID117262593
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-8-5-6-11-10(7-8)12(17)16(9(2)14-3)13(18)15(11)4/h5-7,9,14H,1-4H3
InChIKeyXURJLOVHWOBQNX-UHFFFAOYSA-N
XLogP0.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The IUPAC name of 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione (CID 117262593) is 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione is CNC(C)n1c(=O)c2cc(C)ccc2n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The InChIKey is XURJLOVHWOBQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-5-6-11-10(7-8)12(17)16(9(2)14-3)13(18)15(11)4/h5-7,9,14H,1-4H3.
What are the key properties of 1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 0.75, 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-[1-(methylamino)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 117262593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).