4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine

C8H12ClN5 — CID 174788663

IUPAC4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCN2)n1
InChIInChI=1S/C8H12ClN5/c9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h5,11H,1-4H2,(H2,10,12,13,14)
InChIKeyROOFICMYVWZTFM-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.92
Rot. Bonds1

About 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine

4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine (PubChem CID 174788663) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
PubChem CID174788663
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCN2)n1
InChIInChI=1S/C8H12ClN5/c9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h5,11H,1-4H2,(H2,10,12,13,14)
InChIKeyROOFICMYVWZTFM-UHFFFAOYSA-N
XLogP0.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 138679171
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 113434047
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-chloro-4-methyl-5-piperidin-2-ylpyrimidine
CID 115070172
2-chloro-5-[(2R)-piperidin-2-yl]pyridin-4-amine
CID 130783796
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine (CID 174788663) is 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCCN2)n1.
What is the InChIKey of 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ROOFICMYVWZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h5,11H,1-4H2,(H2,10,12,13,14).
What are the key properties of 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 213.67 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 174788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).