5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine

C24H37N5O — CID 46962664

IUPAC5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H37N5O/c1-23(2)12-20(13-24(3,4)27-23)29(16-18-8-10-21(30-7)11-9-18)17-19-14-25-22(26-15-19)28(5)6/h8-11,14-15,20,27H,12-13,16-17H2,1-7H3
InChIKeyZXRYXKPZZVINBF-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.86
Rot. Bonds7

About 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 46962664) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID46962664
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H37N5O/c1-23(2)12-20(13-24(3,4)27-23)29(16-18-8-10-21(30-7)11-9-18)17-19-14-25-22(26-15-19)28(5)6/h8-11,14-15,20,27H,12-13,16-17H2,1-7H3
InChIKeyZXRYXKPZZVINBF-UHFFFAOYSA-N
XLogP3.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 46962663
N-[(2-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 16673149
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 16673363
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 16677206
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902695
8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966019
N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 16677060
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
1-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065882
(2R,5S)-N-ethyl-N-[(4-methoxyphenyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 138519662
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 46962664) is 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine is COc1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is ZXRYXKPZZVINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-23(2)12-20(13-24(3,4)27-23)29(16-18-8-10-21(30-7)11-9-18)17-19-14-25-22(26-15-19)28(5)6/h8-11,14-15,20,27H,12-13,16-17H2,1-7H3.
What are the key properties of 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 411.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 46962664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).