2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine

C11H19N5O2 — CID 62861608

IUPAC2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1nc(NC2CCCCC2N)nc(OC)n1
InChIInChI=1S/C11H19N5O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUGXURKCHSFZMRM-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.57
Rot. Bonds4

About 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine

2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (PubChem CID 62861608) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
PubChem CID62861608
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1nc(NC2CCCCC2N)nc(OC)n1
InChIInChI=1S/C11H19N5O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUGXURKCHSFZMRM-UHFFFAOYSA-N
XLogP0.57
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
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-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 80925563
2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
CID 114787028
[2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
CID 106368227
4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine
CID 114124081
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80778304
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 55136077
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (CID 62861608) is 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine is COc1nc(NC2CCCCC2N)nc(OC)n1.
What is the InChIKey of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is UGXURKCHSFZMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine?
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 253.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 62861608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).