N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine

C24H34N4O — CID 42646272

IUPACN-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine
SMILESCOC1(CCCNc2ncccn2)CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C24H34N4O/c1-23(20-8-4-3-5-9-20)12-10-21-18-24(29-2,13-17-28(21)19-23)11-6-14-25-22-26-15-7-16-27-22/h3-5,7-9,15-16,21H,6,10-14,17-19H2,1-2H3,(H,25,26,27)
InChIKeyPTYYVVXUGBTWIC-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.27
Rot. Bonds7

About N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine

N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine (PubChem CID 42646272) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine
PubChem CID42646272
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine
SMILESCOC1(CCCNc2ncccn2)CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C24H34N4O/c1-23(20-8-4-3-5-9-20)12-10-21-18-24(29-2,13-17-28(21)19-23)11-6-14-25-22-26-15-7-16-27-22/h3-5,7-9,15-16,21H,6,10-14,17-19H2,1-2H3,(H,25,26,27)
InChIKeyPTYYVVXUGBTWIC-UHFFFAOYSA-N
XLogP4.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine with MolForge

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Related Compounds

7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
CID 42644375
2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
CID 71320542
N-[3-(7,9a-dimethyl-7-phenyl-2,3,4,6,8,9-hexahydro-1H-quinolizin-2-yl)propyl]-1H-1,2,4-triazol-5-amine
CID 42647009
(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride
CID 20533457
(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 124645953
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
(3aS,6aR)-2-(3-methyl-3-phenylcyclopentyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045055
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine (CID 42646272) is N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine is COC1(CCCNc2ncccn2)CCN2CC(C)(c3ccccc3)CCC2C1.
What is the InChIKey of N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is PTYYVVXUGBTWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-23(20-8-4-3-5-9-20)12-10-21-18-24(29-2,13-17-28(21)19-23)11-6-14-25-22-26-15-7-16-27-22/h3-5,7-9,15-16,21H,6,10-14,17-19H2,1-2H3,(H,25,26,27).
What are the key properties of N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine?
N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 394.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-7-methyl-7-phenyl-3,4,6,8,9,9a-hexahydro-1H-quinolizin-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 42646272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).