2-amino-3,6-dimethylquinazolin-4-one;ethane

C12H17N3O — CID 155705578

IUPAC2-amino-3,6-dimethylquinazolin-4-one;ethane
SMILESCC.Cc1ccc2nc(N)n(C)c(=O)c2c1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-3-4-8-7(5-6)9(14)13(2)10(11)12-8;1-2/h3-5H,1-2H3,(H2,11,12);1-2H3
InChIKeyFMWIVBZBYYUUOL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.85
Rot. Bonds

About 2-amino-3,6-dimethylquinazolin-4-one;ethane

2-amino-3,6-dimethylquinazolin-4-one;ethane (PubChem CID 155705578) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-3,6-dimethylquinazolin-4-one;ethane.

Molecular Properties

Compound Name2-amino-3,6-dimethylquinazolin-4-one;ethane
PubChem CID155705578
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-3,6-dimethylquinazolin-4-one;ethane
SMILESCC.Cc1ccc2nc(N)n(C)c(=O)c2c1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-3-4-8-7(5-6)9(14)13(2)10(11)12-8;1-2/h3-5H,1-2H3,(H2,11,12);1-2H3
InChIKeyFMWIVBZBYYUUOL-UHFFFAOYSA-N
XLogP1.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 123577272
2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
CID 123570172
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
CID 14585474
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
3,6-dimethyl-1,2,3-benzotriazin-4-one
CID 122431911
3,6-dimethyl-2-[4-(3-methyloxiran-2-yl)oxyphenyl]quinazolin-4-one
CID 20504706
2-amino-3-(2-fluoro-4-methylphenyl)-6-iodoquinazolin-4-one
CID 67982009
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
CID 123402793

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethylquinazolin-4-one;ethane?
The IUPAC name of 2-amino-3,6-dimethylquinazolin-4-one;ethane (CID 155705578) is 2-amino-3,6-dimethylquinazolin-4-one;ethane.
What is the SMILES notation for 2-amino-3,6-dimethylquinazolin-4-one;ethane?
The canonical SMILES for 2-amino-3,6-dimethylquinazolin-4-one;ethane is CC.Cc1ccc2nc(N)n(C)c(=O)c2c1.
What is the InChIKey of 2-amino-3,6-dimethylquinazolin-4-one;ethane?
The InChIKey is FMWIVBZBYYUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C2H6/c1-6-3-4-8-7(5-6)9(14)13(2)10(11)12-8;1-2/h3-5H,1-2H3,(H2,11,12);1-2H3.
What are the key properties of 2-amino-3,6-dimethylquinazolin-4-one;ethane?
2-amino-3,6-dimethylquinazolin-4-one;ethane has a molecular weight of 219.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethylquinazolin-4-one;ethane is sourced from PubChem (CID 155705578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).