2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C10H13N3O — CID 2772366

IUPAC2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N)nc2C1
InChIInChI=1S/C10H13N3O/c1-10(2)3-7-6(8(14)4-10)5-12-9(11)13-7/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyIVSMYCAEYJVVAD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds

About 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 2772366) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID2772366
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N)nc2C1
InChIInChI=1S/C10H13N3O/c1-10(2)3-7-6(8(14)4-10)5-12-9(11)13-7/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyIVSMYCAEYJVVAD-UHFFFAOYSA-N
XLogP1.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 2772366) is 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(N)nc2C1.
What is the InChIKey of 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is IVSMYCAEYJVVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)3-7-6(8(14)4-10)5-12-9(11)13-7/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 2772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).