2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C12H17N3O — CID 2851058

IUPAC2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H17N3O/c1-4-7-10-8(15-11(13)14-7)5-12(2,3)6-9(10)16/h4-6H2,1-3H3,(H2,13,14,15)
InChIKeyHDUOQUWAAUWSSY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.78
Rot. Bonds1

About 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 2851058) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID2851058
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H17N3O/c1-4-7-10-8(15-11(13)14-7)5-12(2,3)6-9(10)16/h4-6H2,1-3H3,(H2,13,14,15)
InChIKeyHDUOQUWAAUWSSY-UHFFFAOYSA-N
XLogP1.78
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 2851058) is 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCc1nc(N)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is HDUOQUWAAUWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-7-10-8(15-11(13)14-7)5-12(2,3)6-9(10)16/h4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 219.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 2851058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).