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

C13H21ClN4O — CID 64732550

IUPAC4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-4-19-13-17-11(14)16-12(18-13)15-10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyVSAQCFZCECBGJJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.16
Rot. Bonds4

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

4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 64732550) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID64732550
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-4-19-13-17-11(14)16-12(18-13)15-10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyVSAQCFZCECBGJJ-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841793
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64731761
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 83028910
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-6-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,5-triazin-2-amine
CID 62858726
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 64732550) is 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is VSAQCFZCECBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-19-13-17-11(14)16-12(18-13)15-10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64732550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).