2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C26H34N8 — CID 134108561

IUPAC2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(CN2CCC(Nc3nc(NCc4cccnc4)nc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C26H34N8/c1-2-7-20(8-3-1)19-34-15-12-23(13-16-34)30-26-32-24(28-18-21-9-6-14-27-17-21)31-25(33-26)29-22-10-4-5-11-22/h1-3,6-9,14,17,22-23H,4-5,10-13,15-16,18-19H2,(H3,28,29,30,31,32,33)
InChIKeyPYXIJCYTZZYQRW-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.31
Rot. Bonds9

About 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134108561) has the molecular formula C26H34N8 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134108561
Molecular FormulaC26H34N8
Molecular Weight458.61 g/mol
Exact Mass458.29
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(CN2CCC(Nc3nc(NCc4cccnc4)nc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C26H34N8/c1-2-7-20(8-3-1)19-34-15-12-23(13-16-34)30-26-32-24(28-18-21-9-6-14-27-17-21)31-25(33-26)29-22-10-4-5-11-22/h1-3,6-9,14,17,22-23H,4-5,10-13,15-16,18-19H2,(H3,28,29,30,31,32,33)
InChIKeyPYXIJCYTZZYQRW-UHFFFAOYSA-N
XLogP4.31
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-cycloheptyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919599
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 134108561) is 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is c1ccc(CN2CCC(Nc3nc(NCc4cccnc4)nc(NC4CCCC4)n3)CC2)cc1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PYXIJCYTZZYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8/c1-2-7-20(8-3-1)19-34-15-12-23(13-16-34)30-26-32-24(28-18-21-9-6-14-27-17-21)31-25(33-26)29-22-10-4-5-11-22/h1-3,6-9,14,17,22-23H,4-5,10-13,15-16,18-19H2,(H3,28,29,30,31,32,33).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 458.61 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134108561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).