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

C13H23N5O2 — CID 80842897

IUPAC1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(NCC2(O)CCCC2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-9-13(19)7-5-6-8-13/h19H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKMFJWLFSQWJSJR-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.42
Rot. Bonds7

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

1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842897) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80842897
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(NCC2(O)CCCC2)nc(OCC)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-9-13(19)7-5-6-8-13/h19H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKMFJWLFSQWJSJR-UHFFFAOYSA-N
XLogP1.42
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80829131
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114953966
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114
1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80909130
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823322
4-chloro-6-ethoxy-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazin-2-amine
CID 63830004
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (CID 80842897) is 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is CCNc1nc(NCC2(O)CCCC2)nc(OCC)n1.
What is the InChIKey of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is KMFJWLFSQWJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-9-13(19)7-5-6-8-13/h19H,3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).