6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

C13H22ClN5 — CID 18769840

IUPAC6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-15-12-17-11(14)18-13(19-12)16-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyBGWQZHTZRFJRRR-UHFFFAOYSA-N
MW283.81 g/mol
LogP3.34
Rot. Bonds5

About 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 18769840) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID18769840
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-15-12-17-11(14)18-13(19-12)16-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyBGWQZHTZRFJRRR-UHFFFAOYSA-N
XLogP3.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
6-chloro-2-N-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727294
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727398
6-chloro-2-N-(1-ethynylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727402
1-[[4-Chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727500
1-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727608
6-Chloro-N(2),N(4)-dicyclohexyl-1,3,5-triazine-2,4-diamine
CID 245174
N~2~-Cyclohexyl-N~4~-methyl-1,3,5-triazinane-2,4,6-triimine
CID 213573
Melamine, N(sup 2),N(sup 4)-bis(3-methylcyclohexyl)-
CID 207460
1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methyl
CID 14254783

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 18769840) is 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)C2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BGWQZHTZRFJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-3-15-12-17-11(14)18-13(19-12)16-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-cyclohexylethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).