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

C12H19ClN4O — CID 55124418

IUPAC4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2(C)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-18-11-15-9(13)14-10(16-11)17-12(2)7-5-4-6-8-12/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyUKLVMTJVYPWBDQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.06
Rot. Bonds4

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

4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 55124418) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID55124418
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2(C)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-18-11-15-9(13)14-10(16-11)17-12(2)7-5-4-6-8-12/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyUKLVMTJVYPWBDQ-UHFFFAOYSA-N
XLogP3.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 19832808
4-chloro-6-ethoxy-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124274
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-N-(1-cyclohexylethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124559
4-chloro-N-(cyclohexylmethyl)-6-methoxy-1,3,5-triazin-2-amine
CID 55124638
4-chloro-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 55124666
4-chloro-N-(4-methylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55124762
4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124787
6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 55125514
4-chloro-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55125551
4-chloro-6-ethoxy-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 55221852
4-chloro-N-(cyclohexylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine (CID 55124418) is 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC2(C)CCCCC2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is UKLVMTJVYPWBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-18-11-15-9(13)14-10(16-11)17-12(2)7-5-4-6-8-12/h3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(1-methylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).