4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine

C14H23ClN4O — CID 63504788

IUPAC4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OC2CCCCC2C)n1
InChIInChI=1S/C14H23ClN4O/c1-4-19(5-2)13-16-12(15)17-14(18-13)20-11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3
InChIKeyQRGIIRRQQLCWTM-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine (PubChem CID 63504788) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
PubChem CID63504788
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OC2CCCCC2C)n1
InChIInChI=1S/C14H23ClN4O/c1-4-19(5-2)13-16-12(15)17-14(18-13)20-11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3
InChIKeyQRGIIRRQQLCWTM-UHFFFAOYSA-N
XLogP3.33
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 102739995
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921
6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62863617
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine (CID 63504788) is 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OC2CCCCC2C)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The InChIKey is QRGIIRRQQLCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-4-19(5-2)13-16-12(15)17-14(18-13)20-11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63504788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).