4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 64743928

IUPAC4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCC1CCCC(Nc2nc(Cl)nc(OC)n2)C1
InChIInChI=1S/C12H19ClN4O/c1-3-8-5-4-6-9(7-8)14-11-15-10(13)16-12(17-11)18-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyGCGGLHVJNNJKDW-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 64743928) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID64743928
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCC1CCCC(Nc2nc(Cl)nc(OC)n2)C1
InChIInChI=1S/C12H19ClN4O/c1-3-8-5-4-6-9(7-8)14-11-15-10(13)16-12(17-11)18-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyGCGGLHVJNNJKDW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 106996266
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine (CID 64743928) is 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine is CCC1CCCC(Nc2nc(Cl)nc(OC)n2)C1.
What is the InChIKey of 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is GCGGLHVJNNJKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-8-5-4-6-9(7-8)14-11-15-10(13)16-12(17-11)18-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64743928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).