N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C17H27N3O — CID 116728365

IUPACN-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3(OC)CCC3)ncc21
InChIInChI=1S/C17H27N3O/c1-5-18-13-9-16(2,3)10-14-12(13)11-19-15(20-14)17(21-4)7-6-8-17/h11,13,18H,5-10H2,1-4H3
InChIKeyQRKUXAPUSWPWBH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 116728365) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID116728365
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3(OC)CCC3)ncc21
InChIInChI=1S/C17H27N3O/c1-5-18-13-9-16(2,3)10-14-12(13)11-19-15(20-14)17(21-4)7-6-8-17/h11,13,18H,5-10H2,1-4H3
InChIKeyQRKUXAPUSWPWBH-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 64985716
N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 65128118
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775320
2-(methoxymethyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009698
N-ethyl-2-(2-methyloxan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385351
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
CID 116731008
2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 116728350
2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 102928806
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 116728365) is N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CCNC1CC(C)(C)Cc2nc(C3(OC)CCC3)ncc21.
What is the InChIKey of N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is QRKUXAPUSWPWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-18-13-9-16(2,3)10-14-12(13)11-19-15(20-14)17(21-4)7-6-8-17/h11,13,18H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 289.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 116728365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).