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

C13H19N3O — CID 2834688

IUPAC2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one
SMILESCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C13H19N3O/c1-4-5-8-11-9(16-12(14)15-8)6-13(2,3)7-10(11)17/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyMNXZQFMWFYKCDE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds2

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

2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one (PubChem CID 2834688) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one
PubChem CID2834688
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one
SMILESCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C13H19N3O/c1-4-5-8-11-9(16-12(14)15-8)6-13(2,3)7-10(11)17/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyMNXZQFMWFYKCDE-UHFFFAOYSA-N
XLogP2.17
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
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-4-propyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one (CID 2834688) is 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one is CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one?
The InChIKey is MNXZQFMWFYKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-5-8-11-9(16-12(14)15-8)6-13(2,3)7-10(11)17/h4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one?
2-amino-7,7-dimethyl-4-propyl-6,8-dihydroquinazolin-5-one has a molecular weight of 233.31 g/mol, XLogP of 2.17, 2 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-4-propyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 2834688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).