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

C14H25N5O2 — CID 106138385

IUPAC3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1nc(NCC2CCCC(O)C2)nc(OCC)n1
InChIInChI=1S/C14H25N5O2/c1-3-15-12-17-13(19-14(18-12)21-4-2)16-9-10-6-5-7-11(20)8-10/h10-11,20H,3-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZKFCJBCQSFEFPX-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.67
Rot. Bonds7

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

3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138385) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138385
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1nc(NCC2CCCC(O)C2)nc(OCC)n1
InChIInChI=1S/C14H25N5O2/c1-3-15-12-17-13(19-14(18-12)21-4-2)16-9-10-6-5-7-11(20)8-10/h10-11,20H,3-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyZKFCJBCQSFEFPX-UHFFFAOYSA-N
XLogP1.67
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138427
3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 114148716
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814333
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138430
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137358
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-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 106138385) is 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CCNc1nc(NCC2CCCC(O)C2)nc(OCC)n1.
What is the InChIKey of 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ZKFCJBCQSFEFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-15-12-17-13(19-14(18-12)21-4-2)16-9-10-6-5-7-11(20)8-10/h10-11,20H,3-9H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).