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

C12H15N3O2 — CID 117262294

IUPAC1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNCCn1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H15N3O2/c1-13-7-8-15-11(16)9-5-3-4-6-10(9)14(2)12(15)17/h3-6,13H,7-8H2,1-2H3
InChIKeyUMHBSNMEKHYDRH-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.08
Rot. Bonds3

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

1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione (PubChem CID 117262294) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
PubChem CID117262294
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNCCn1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H15N3O2/c1-13-7-8-15-11(16)9-5-3-4-6-10(9)14(2)12(15)17/h3-6,13H,7-8H2,1-2H3
InChIKeyUMHBSNMEKHYDRH-UHFFFAOYSA-N
XLogP-0.08
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione (CID 117262294) is 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione is CNCCn1c(=O)c2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione?
The InChIKey is UMHBSNMEKHYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-7-8-15-11(16)9-5-3-4-6-10(9)14(2)12(15)17/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione?
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 117262294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).