6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

C24H32N8 — CID 70694367

IUPAC6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C24H32N8/c1-16-13-17(2)21(18(3)14-16)28-24-30-22(25-4)29-23(31-24)27-20-7-11-32(12-8-20)15-19-5-9-26-10-6-19/h5-6,9-10,13-14,20H,7-8,11-12,15H2,1-4H3,(H3,25,27,28,29,30,31)
InChIKeyAABFIPXCNDBECC-UHFFFAOYSA-N
MW432.58 g/mol
LogP4.05
Rot. Bonds7

About 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 70694367) has the molecular formula C24H32N8 and a molecular weight of 432.58 g/mol. Its IUPAC name is 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID70694367
Molecular FormulaC24H32N8
Molecular Weight432.58 g/mol
Exact Mass432.27
IUPAC Name6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C24H32N8/c1-16-13-17(2)21(18(3)14-16)28-24-30-22(25-4)29-23(31-24)27-20-7-11-32(12-8-20)15-19-5-9-26-10-6-19/h5-6,9-10,13-14,20H,7-8,11-12,15H2,1-4H3,(H3,25,27,28,29,30,31)
InChIKeyAABFIPXCNDBECC-UHFFFAOYSA-N
XLogP4.05
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
CID 57394870
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
4-[[2-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134139054
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 70694367) is 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AABFIPXCNDBECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8/c1-16-13-17(2)21(18(3)14-16)28-24-30-22(25-4)29-23(31-24)27-20-7-11-32(12-8-20)15-19-5-9-26-10-6-19/h5-6,9-10,13-14,20H,7-8,11-12,15H2,1-4H3,(H3,25,27,28,29,30,31).
What are the key properties of 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 432.58 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70694367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).