2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine

C29H44N6 — CID 142228570

IUPAC2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3cc(C(C)(C)C)nn3C)CC2)nc2ccccc12
InChIInChI=1S/C29H44N6/c1-29(2,3)26-18-23(35(6)33-26)20-30-19-22-16-14-21(15-17-22)10-9-13-27-31-25-12-8-7-11-24(25)28(32-27)34(4)5/h7-8,11-12,18,21-22,30H,9-10,13-17,19-20H2,1-6H3
InChIKeyWOVYUPDQCUXMHW-UHFFFAOYSA-N
MW476.71 g/mol
LogP5.65
Rot. Bonds9

About 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine

2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 142228570) has the molecular formula C29H44N6 and a molecular weight of 476.71 g/mol. Its IUPAC name is 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
PubChem CID142228570
Molecular FormulaC29H44N6
Molecular Weight476.71 g/mol
Exact Mass476.36
IUPAC Name2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3cc(C(C)(C)C)nn3C)CC2)nc2ccccc12
InChIInChI=1S/C29H44N6/c1-29(2,3)26-18-23(35(6)33-26)20-30-19-22-16-14-21(15-17-22)10-9-13-27-31-25-12-8-7-11-24(25)28(32-27)34(4)5/h7-8,11-12,18,21-22,30H,9-10,13-17,19-20H2,1-6H3
InChIKeyWOVYUPDQCUXMHW-UHFFFAOYSA-N
XLogP5.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

Importazole
CID 2949965
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
Aminoquinazoline, 19
CID 24863072
1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N,N-Dimethyl-N'-(2-p-tolyl-quinazolin-4-yl)-ethane-1,2-diamine
CID 1162379
N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
N-Isopropyl-2-phenyl-4-quinazolinamine
CID 719252
N(1),N(1)-Dimethyl-N(2)-(2-phenyl-4-quinazolinyl)-1,2-ethanediamine
CID 454716

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine (CID 142228570) is 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(CCCC2CCC(CNCc3cc(C(C)(C)C)nn3C)CC2)nc2ccccc12.
What is the InChIKey of 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is WOVYUPDQCUXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N6/c1-29(2,3)26-18-23(35(6)33-26)20-30-19-22-16-14-21(15-17-22)10-9-13-27-31-25-12-8-7-11-24(25)28(32-27)34(4)5/h7-8,11-12,18,21-22,30H,9-10,13-17,19-20H2,1-6H3.
What are the key properties of 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine?
2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 476.71 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[(3-tert-butyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 142228570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).