4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine

C11H18ClN5 — CID 80826625

IUPAC4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C11H18ClN5/c1-7-4-5-17(8(2)6-7)11-15-9(12)14-10(13-3)16-11/h7-8H,4-6H2,1-3H3,(H,13,14,15,16)
InChIKeySJDLLFZEXMRWMN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.19
Rot. Bonds2

About 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80826625) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80826625
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C11H18ClN5/c1-7-4-5-17(8(2)6-7)11-15-9(12)14-10(13-3)16-11/h7-8H,4-6H2,1-3H3,(H,13,14,15,16)
InChIKeySJDLLFZEXMRWMN-UHFFFAOYSA-N
XLogP2.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
6-(2,4-dimethylpiperidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80826737
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691
4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
4-(2,4-dimethylpiperidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327188
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114541947
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
2-(2,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 116796790
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine (CID 80826625) is 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCC(C)CC2C)n1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is SJDLLFZEXMRWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-7-4-5-17(8(2)6-7)11-15-9(12)14-10(13-3)16-11/h7-8H,4-6H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80826625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).