6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 114342953

IUPAC6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-13(2)7-5-9(6-8-13)19-12-16-10(14)15-11(17-12)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeySQNJDPLVXGTMQB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.87
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 114342953) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID114342953
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-13(2)7-5-9(6-8-13)19-12-16-10(14)15-11(17-12)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeySQNJDPLVXGTMQB-UHFFFAOYSA-N
XLogP1.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 114342953) is 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SQNJDPLVXGTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2)7-5-9(6-8-13)19-12-16-10(14)15-11(17-12)18(3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114342953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).