6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile

C26H35N5 — CID 178025900

IUPAC6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile
SMILESCCCc1ccc(N)c(C#N)c1C1(C)CCc2c(nc(CC)nc2N(C)C2CCC2)C1
InChIInChI=1S/C26H35N5/c1-5-8-17-11-12-21(28)20(16-27)24(17)26(3)14-13-19-22(15-26)29-23(6-2)30-25(19)31(4)18-9-7-10-18/h11-12,18H,5-10,13-15,28H2,1-4H3
InChIKeyWXCFXGUIOPXAGI-UHFFFAOYSA-N
MW417.60 g/mol
LogP4.88
Rot. Bonds6

About 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile

6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile (PubChem CID 178025900) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile.

Molecular Properties

Compound Name6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile
PubChem CID178025900
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Name6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile
SMILESCCCc1ccc(N)c(C#N)c1C1(C)CCc2c(nc(CC)nc2N(C)C2CCC2)C1
InChIInChI=1S/C26H35N5/c1-5-8-17-11-12-21(28)20(16-27)24(17)26(3)14-13-19-22(15-26)29-23(6-2)30-25(19)31(4)18-9-7-10-18/h11-12,18H,5-10,13-15,28H2,1-4H3
InChIKeyWXCFXGUIOPXAGI-UHFFFAOYSA-N
XLogP4.88
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile 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

6-amino-3-[(2S)-butan-2-yl]-2-[4-[cyclopropyl(methyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]benzonitrile
CID 178025958
6-amino-2-[[2-ethyl-6-[methyl-(3-methylcyclobutyl)amino]-5-propylpyrimidin-4-yl]methyl]-3-propylbenzonitrile
CID 178025908
6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 178025924
6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile
CID 176954877
6-amino-2-[2-ethyl-4-(6-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 176712343
CID 176954982
CID 176954982
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
6-amino-2-[[6-[butyl(methyl)amino]-2-ethyl-5-(methoxymethyl)pyrimidin-4-yl]methyl]-3-propylbenzonitrile;7-fluoro-2-methylazocane
CID 178025946
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
CID 178025915
CID 178025915
6-amino-3-butan-2-yl-2-(4-cyclopentyl-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl)benzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 176712313
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile?
The IUPAC name of 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile (CID 178025900) is 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile.
What is the SMILES notation for 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile?
The canonical SMILES for 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile is CCCc1ccc(N)c(C#N)c1C1(C)CCc2c(nc(CC)nc2N(C)C2CCC2)C1.
What is the InChIKey of 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile?
The InChIKey is WXCFXGUIOPXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-5-8-17-11-12-21(28)20(16-27)24(17)26(3)14-13-19-22(15-26)29-23(6-2)30-25(19)31(4)18-9-7-10-18/h11-12,18H,5-10,13-15,28H2,1-4H3.
What are the key properties of 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile?
6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile has a molecular weight of 417.60 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-[cyclobutyl(methyl)amino]-2-ethyl-7-methyl-6,8-dihydro-5H-quinazolin-7-yl]-3-propylbenzonitrile is sourced from PubChem (CID 178025900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).