2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C9H11N3O — CID 3426161

IUPAC2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N)nc2C1
InChIInChI=1S/C9H11N3O/c1-5-2-7-6(8(13)3-5)4-11-9(10)12-7/h4-5H,2-3H2,1H3,(H2,10,11,12)
InChIKeyJZVAVPSXDGOXIX-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.82
Rot. Bonds

About 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3426161) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3426161
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N)nc2C1
InChIInChI=1S/C9H11N3O/c1-5-2-7-6(8(13)3-5)4-11-9(10)12-7/h4-5H,2-3H2,1H3,(H2,10,11,12)
InChIKeyJZVAVPSXDGOXIX-UHFFFAOYSA-N
XLogP0.82
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 3426161) is 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(N)nc2C1.
What is the InChIKey of 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JZVAVPSXDGOXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-2-7-6(8(13)3-5)4-11-9(10)12-7/h4-5H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 177.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3426161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).