6-amino-1-ethyl-3-methylquinazoline-2,4-dione

C11H13N3O2 — CID 82372186

IUPAC6-amino-1-ethyl-3-methylquinazoline-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2cc(N)ccc21
InChIInChI=1S/C11H13N3O2/c1-3-14-9-5-4-7(12)6-8(9)10(15)13(2)11(14)16/h4-6H,3,12H2,1-2H3
InChIKeyUEBBIHDFAQFOEH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.30
Rot. Bonds1

About 6-amino-1-ethyl-3-methylquinazoline-2,4-dione

6-amino-1-ethyl-3-methylquinazoline-2,4-dione (PubChem CID 82372186) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-amino-1-ethyl-3-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-3-methylquinazoline-2,4-dione
PubChem CID82372186
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-amino-1-ethyl-3-methylquinazoline-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2cc(N)ccc21
InChIInChI=1S/C11H13N3O2/c1-3-14-9-5-4-7(12)6-8(9)10(15)13(2)11(14)16/h4-6H,3,12H2,1-2H3
InChIKeyUEBBIHDFAQFOEH-UHFFFAOYSA-N
XLogP0.30
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-ethyl-1-methylbenzimidazol-2-one
CID 162519843
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
5-amino-3-(difluoromethyl)-1-ethylbenzimidazol-2-one
CID 162519830
9-amino-5-ethylphenanthridin-6-one
CID 10399308
6-amino-9-ethylcarbazole-3-sulfonic acid
CID 134108939
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione
CID 118658560
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
CID 15145308
6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 168952788
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944395

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-3-methylquinazoline-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-3-methylquinazoline-2,4-dione (CID 82372186) is 6-amino-1-ethyl-3-methylquinazoline-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-3-methylquinazoline-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-3-methylquinazoline-2,4-dione is CCn1c(=O)n(C)c(=O)c2cc(N)ccc21.
What is the InChIKey of 6-amino-1-ethyl-3-methylquinazoline-2,4-dione?
The InChIKey is UEBBIHDFAQFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-14-9-5-4-7(12)6-8(9)10(15)13(2)11(14)16/h4-6H,3,12H2,1-2H3.
What are the key properties of 6-amino-1-ethyl-3-methylquinazoline-2,4-dione?
6-amino-1-ethyl-3-methylquinazoline-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-3-methylquinazoline-2,4-dione is sourced from PubChem (CID 82372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).