N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C21H30N6O2 — CID 1068515

IUPACN-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1
InChIInChI=1S/C21H30N6O2/c1-28-16-9-10-17(18(15-16)29-2)22-19-23-20(26-11-5-3-6-12-26)25-21(24-19)27-13-7-4-8-14-27/h9-10,15H,3-8,11-14H2,1-2H3,(H,22,23,24,25)
InChIKeyQBKUFKDJOTVVOH-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.61
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 1068515) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID1068515
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1
InChIInChI=1S/C21H30N6O2/c1-28-16-9-10-17(18(15-16)29-2)22-19-23-20(26-11-5-3-6-12-26)25-21(24-19)27-13-7-4-8-14-27/h9-10,15H,3-8,11-14H2,1-2H3,(H,22,23,24,25)
InChIKeyQBKUFKDJOTVVOH-UHFFFAOYSA-N
XLogP3.61
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941171
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
CID 2067296

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 1068515) is N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is QBKUFKDJOTVVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-28-16-9-10-17(18(15-16)29-2)22-19-23-20(26-11-5-3-6-12-26)25-21(24-19)27-13-7-4-8-14-27/h9-10,15H,3-8,11-14H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1068515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).