2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 3650360

IUPAC2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCCC2)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHATFQXYMHKXSGX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds5

About 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 3650360) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID3650360
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCCC2)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHATFQXYMHKXSGX-UHFFFAOYSA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 3650360) is 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCCCC2)nc(OC)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is HATFQXYMHKXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-13-10-15-11(17-12(16-10)18-2)14-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3650360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).