6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C12H21ClN6 — CID 83019714

IUPAC6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NN2CCCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-3-18(4-2)12-15-10(13)14-11(16-12)17-19-8-6-5-7-9-19/h3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyFTXOIUJTIJHBLO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds5

About 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 83019714) has the molecular formula C12H21ClN6 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID83019714
Molecular FormulaC12H21ClN6
Molecular Weight284.79 g/mol
Exact Mass284.15
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NN2CCCCC2)n1
InChIInChI=1S/C12H21ClN6/c1-3-18(4-2)12-15-10(13)14-11(16-12)17-19-8-6-5-7-9-19/h3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyFTXOIUJTIJHBLO-UHFFFAOYSA-N
XLogP2.18
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 63550301
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-2-N,2-N-diethyl-4-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492
6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862665
[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
CID 115361856
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 83019714) is 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NN2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FTXOIUJTIJHBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6/c1-3-18(4-2)12-15-10(13)14-11(16-12)17-19-8-6-5-7-9-19/h3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83019714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).