(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C13H21N3O2 — CID 164633472

IUPAC(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCCc1nc(N2CC[C@@H](CO)[C@@H](O)C2)ncc1C
InChIInChI=1S/C13H21N3O2/c1-3-11-9(2)6-14-13(15-11)16-5-4-10(8-17)12(18)7-16/h6,10,12,17-18H,3-5,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyFWTQXZLTWUMOPN-JQWIXIFHSA-N
MW251.33 g/mol
LogP0.53
Rot. Bonds3

About (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 164633472) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID164633472
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCCc1nc(N2CC[C@@H](CO)[C@@H](O)C2)ncc1C
InChIInChI=1S/C13H21N3O2/c1-3-11-9(2)6-14-13(15-11)16-5-4-10(8-17)12(18)7-16/h6,10,12,17-18H,3-5,7-8H2,1-2H3/t10-,12-/m0/s1
InChIKeyFWTQXZLTWUMOPN-JQWIXIFHSA-N
XLogP0.53
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 164633472) is (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is CCc1nc(N2CC[C@@H](CO)[C@@H](O)C2)ncc1C.
What is the InChIKey of (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is FWTQXZLTWUMOPN-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-9(2)6-14-13(15-11)16-5-4-10(8-17)12(18)7-16/h6,10,12,17-18H,3-5,7-8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 164633472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).