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

C14H21N3O — CID 23933548

IUPAC2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H21N3O/c1-4-5-6-9-12-10(17-13(15)16-9)7-14(2,3)8-11(12)18/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyXBGWNXVJTNMJRP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds3

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

2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 23933548) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID23933548
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H21N3O/c1-4-5-6-9-12-10(17-13(15)16-9)7-14(2,3)8-11(12)18/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyXBGWNXVJTNMJRP-UHFFFAOYSA-N
XLogP2.56
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 23933548) is 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is XBGWNXVJTNMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-5-6-9-12-10(17-13(15)16-9)7-14(2,3)8-11(12)18/h4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 247.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butyl-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 23933548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).