azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

C22H53ClN10O2 — CID 159172305

IUPACazane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H32N6O2.ClH.4H3N.4H2/c1-29-18-10-9-17(19(15-18)30-2)16-23-20-24-21(27-11-5-3-6-12-27)26-22(25-20)28-13-7-4-8-14-28;;;;;;;;;/h9-10,15H,3-8,11-14,16H2,1-2H3,(H,23,24,25,26);1H;4*1H3;4*1H
InChIKeyIGAQWMXZOBEJHY-UHFFFAOYSA-N
MW525.19 g/mol
LogP5.54
Rot. Bonds7

About azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (PubChem CID 159172305) has the molecular formula C22H53ClN10O2 and a molecular weight of 525.19 g/mol. Its IUPAC name is azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
PubChem CID159172305
Molecular FormulaC22H53ClN10O2
Molecular Weight525.19 g/mol
Exact Mass524.40
IUPAC Nameazane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H32N6O2.ClH.4H3N.4H2/c1-29-18-10-9-17(19(15-18)30-2)16-23-20-24-21(27-11-5-3-6-12-27)26-22(25-20)28-13-7-4-8-14-28;;;;;;;;;/h9-10,15H,3-8,11-14,16H2,1-2H3,(H,23,24,25,26);1H;4*1H3;4*1H
InChIKeyIGAQWMXZOBEJHY-UHFFFAOYSA-N
XLogP5.54
TPSA215.64 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500525.19
LogP ≤ 55.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
azane;molecular hydrogen;N-[(4-phenoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 161356785
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865749
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237

Frequently Asked Questions

What is the IUPAC name of azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The IUPAC name of azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (CID 159172305) is azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is COc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The InChIKey is IGAQWMXZOBEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2.ClH.4H3N.4H2/c1-29-18-10-9-17(19(15-18)30-2)16-23-20-24-21(27-11-5-3-6-12-27)26-22(25-20)28-13-7-4-8-14-28;;;;;;;;;/h9-10,15H,3-8,11-14,16H2,1-2H3,(H,23,24,25,26);1H;4*1H3;4*1H.
What are the key properties of azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride has a molecular weight of 525.19 g/mol, XLogP of 5.54, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is sourced from PubChem (CID 159172305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).