2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C20H24N8 — CID 1259207

IUPAC2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H24N8/c1-15-6-2-3-7-16(15)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)
InChIKeyCAQFTFGWNKAGCI-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.22
Rot. Bonds5

About 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1259207) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID1259207
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C20H24N8/c1-15-6-2-3-7-16(15)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)
InChIKeyCAQFTFGWNKAGCI-UHFFFAOYSA-N
XLogP2.22
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 1259207) is 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CAQFTFGWNKAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-15-6-2-3-7-16(15)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26).
What are the key properties of 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 376.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1259207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).