1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol

C15H22N6O2 — CID 166259050

IUPAC1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESCCOc1nc(N2CCC(O)(Cn3ccnn3)CC2)ncc1C
InChIInChI=1S/C15H22N6O2/c1-3-23-13-12(2)10-16-14(18-13)20-7-4-15(22,5-8-20)11-21-9-6-17-19-21/h6,9-10,22H,3-5,7-8,11H2,1-2H3
InChIKeyNWRCOSIWYPREFT-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.81
Rot. Bonds5

About 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol

1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol (PubChem CID 166259050) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
PubChem CID166259050
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESCCOc1nc(N2CCC(O)(Cn3ccnn3)CC2)ncc1C
InChIInChI=1S/C15H22N6O2/c1-3-23-13-12(2)10-16-14(18-13)20-7-4-15(22,5-8-20)11-21-9-6-17-19-21/h6,9-10,22H,3-5,7-8,11H2,1-2H3
InChIKeyNWRCOSIWYPREFT-UHFFFAOYSA-N
XLogP0.81
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(triazol-1-ylmethyl)cyclopropan-1-ol
CID 84648394
1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 166190800
1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756604
2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146113160
1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154745336
1-(5-chloro-4-ethoxypyrimidin-2-yl)-N,N,4-trimethylpiperidin-4-amine
CID 138038070
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
1-[4-hydroxy-4-(triazol-1-ylmethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166326358
1-[3-(4-chlorophenyl)prop-2-ynyl]-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 146123970
1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 81097388
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 154800249

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol (CID 166259050) is 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol is CCOc1nc(N2CCC(O)(Cn3ccnn3)CC2)ncc1C.
What is the InChIKey of 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is NWRCOSIWYPREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-23-13-12(2)10-16-14(18-13)20-7-4-15(22,5-8-20)11-21-9-6-17-19-21/h6,9-10,22H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 318.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 166259050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).