2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C15H21N3O — CID 899236

IUPAC2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NC3CCCC3)nc2C1
InChIInChI=1S/C15H21N3O/c1-15(2)7-12-11(13(19)8-15)9-16-14(18-12)17-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyAPMVGNPBLZECRV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.99
Rot. Bonds2

About 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 899236) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID899236
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NC3CCCC3)nc2C1
InChIInChI=1S/C15H21N3O/c1-15(2)7-12-11(13(19)8-15)9-16-14(18-12)17-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyAPMVGNPBLZECRV-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.99
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
2-Amino-7,7-dimethyl-4-propyl-7,8-dihydroquinazolin-5(6H)-one
CID 2834688
2-Amino-5,6,7,8-tetrahydroquinazolin-5-one
CID 5200220
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
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
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-Butyl-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopropanecarboxamide
CID 615629
2-(cyclopentylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2946679
7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 57389235

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 899236) is 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(NC3CCCC3)nc2C1.
What is the InChIKey of 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is APMVGNPBLZECRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)7-12-11(13(19)8-15)9-16-14(18-12)17-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 259.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 899236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).