6-(methylamino)-1H-quinazoline-2,4-dione

C9H9N3O2 — CID 89311421

IUPAC6-(methylamino)-1H-quinazoline-2,4-dione
SMILESCNc1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H9N3O2/c1-10-5-2-3-7-6(4-5)8(13)12-9(14)11-7/h2-4,10H,1H3,(H2,11,12,13,14)
InChIKeyNCZVEDWIOJALPE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.26
Rot. Bonds1

About 6-(methylamino)-1H-quinazoline-2,4-dione

6-(methylamino)-1H-quinazoline-2,4-dione (PubChem CID 89311421) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-(methylamino)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-(methylamino)-1H-quinazoline-2,4-dione
PubChem CID89311421
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-(methylamino)-1H-quinazoline-2,4-dione
SMILESCNc1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H9N3O2/c1-10-5-2-3-7-6(4-5)8(13)12-9(14)11-7/h2-4,10H,1H3,(H2,11,12,13,14)
InChIKeyNCZVEDWIOJALPE-UHFFFAOYSA-N
XLogP0.26
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-(methylamino)-1H-quinazoline-2,4-dione (CID 89311421) is 6-(methylamino)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-(methylamino)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-(methylamino)-1H-quinazoline-2,4-dione is CNc1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-(methylamino)-1H-quinazoline-2,4-dione?
The InChIKey is NCZVEDWIOJALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-10-5-2-3-7-6(4-5)8(13)12-9(14)11-7/h2-4,10H,1H3,(H2,11,12,13,14).
What are the key properties of 6-(methylamino)-1H-quinazoline-2,4-dione?
6-(methylamino)-1H-quinazoline-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 89311421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).