2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C17H24ClN6+ — CID 6937023

IUPAC2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1c(Cl)cccc1Nc1nc(N)nc(C[NH+]2CCCC[C@H]2C)n1
InChIInChI=1S/C17H23ClN6/c1-11-6-3-4-9-24(11)10-15-21-16(19)23-17(22-15)20-14-8-5-7-13(18)12(14)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H3,19,20,21,22,23)/p+1/t11-/m1/s1
InChIKeyWVJGRYZDALWDOE-LLVKDONJSA-O
MW347.87 g/mol
LogP2.12
Rot. Bonds4

About 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 6937023) has the molecular formula C17H24ClN6+ and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID6937023
Molecular FormulaC17H24ClN6+
Molecular Weight347.87 g/mol
Exact Mass347.17
IUPAC Name2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1c(Cl)cccc1Nc1nc(N)nc(C[NH+]2CCCC[C@H]2C)n1
InChIInChI=1S/C17H23ClN6/c1-11-6-3-4-9-24(11)10-15-21-16(19)23-17(22-15)20-14-8-5-7-13(18)12(14)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H3,19,20,21,22,23)/p+1/t11-/m1/s1
InChIKeyWVJGRYZDALWDOE-LLVKDONJSA-O
XLogP2.12
TPSA81.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

[4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate
CID 1402701
6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8686821
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907174
6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 5082356
2-N-(2-methylphenyl)-6-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8849942
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80847427
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 8763671
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 6937023) is 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1c(Cl)cccc1Nc1nc(N)nc(C[NH+]2CCCC[C@H]2C)n1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WVJGRYZDALWDOE-LLVKDONJSA-O. The full InChI is InChI=1S/C17H23ClN6/c1-11-6-3-4-9-24(11)10-15-21-16(19)23-17(22-15)20-14-8-5-7-13(18)12(14)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H3,19,20,21,22,23)/p+1/t11-/m1/s1.
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 347.87 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6937023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).