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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Related Compounds

4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 3137930
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
2-(Cyclopentylamino)-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 899236
2-(Cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 939072
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
2-amino-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3426161
4,7,7-trimethyl-2-[(tetrahydrofuran-2-ylmethyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 667033
2-(4-ethylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 1831288
2-Amino-4-ethyl-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 2851058
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methylbutanamide
CID 658911
2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 3161777
2-amino-4-butyl-7,7-dimethyl-7,8-dihydro-5(6H)-quinazolinone
CID 23933548

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).