2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

C13H23N5O2 — CID 80840993

IUPAC2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(NC)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C13H23N5O2/c1-3-20-13-17-11(14-2)16-12(18-13)15-8-9-6-4-5-7-10(9)19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKOVDQHCXTYOBCB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.27
Rot. Bonds6

About 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80840993) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80840993
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(NC)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C13H23N5O2/c1-3-20-13-17-11(14-2)16-12(18-13)15-8-9-6-4-5-7-10(9)19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKOVDQHCXTYOBCB-UHFFFAOYSA-N
XLogP1.27
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80831703
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640102
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64912738
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773
3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138385
N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80787373

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 80840993) is 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CCOc1nc(NC)nc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is KOVDQHCXTYOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-20-13-17-11(14-2)16-12(18-13)15-8-9-6-4-5-7-10(9)19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80840993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).