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

C12H21N5O — CID 80778304

IUPAC2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C12H21N5O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyZVIOHVVYIQAACG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds3

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

2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80778304) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80778304
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C12H21N5O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyZVIOHVVYIQAACG-UHFFFAOYSA-N
XLogP1.70
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,3-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80777218
N-(2,3-dimethylcyclopentyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80915750
4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 80925563
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
CID 62861608
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80854102
2-N-(1,1-dioxothian-4-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80789130
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80778304) is 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NC2CCCC(C)C2C)n1.
What is the InChIKey of 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZVIOHVVYIQAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7-5-4-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18-3/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).