6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine

C15H26ClN5 — CID 63550301

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCCC1Nc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C15H26ClN5/c1-4-11-9-7-8-10-12(11)17-14-18-13(16)19-15(20-14)21(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyIWPTYHMCRRBDBM-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.75
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 63550301) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID63550301
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCCC1Nc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C15H26ClN5/c1-4-11-9-7-8-10-12(11)17-14-18-13(16)19-15(20-14)21(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyIWPTYHMCRRBDBM-UHFFFAOYSA-N
XLogP3.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80938212
6-chloro-4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 63996756
6-chloro-2-N,2-N-diethyl-4-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80612589
6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83019714
4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192262
4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841016
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
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-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine (CID 63550301) is 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine is CCC1CCCCC1Nc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IWPTYHMCRRBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-4-11-9-7-8-10-12(11)17-14-18-13(16)19-15(20-14)21(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.86 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63550301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).