(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol

C16H20N4O2 — CID 56910979

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O
InChIInChI=1S/C16H20N4O2/c21-11-13-4-6-20(10-15(13)22)9-12-7-18-16(19-8-12)14-3-1-2-5-17-14/h1-3,5,7-8,13,15,21-22H,4,6,9-11H2/t13-,15-/m1/s1
InChIKeyAZLOTIQJWNKLSU-UKRRQHHQSA-N
MW300.36 g/mol
LogP0.71
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol (PubChem CID 56910979) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
PubChem CID56910979
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O
InChIInChI=1S/C16H20N4O2/c21-11-13-4-6-20(10-15(13)22)9-12-7-18-16(19-8-12)14-3-1-2-5-17-14/h1-3,5,7-8,13,15,21-22H,4,6,9-11H2/t13-,15-/m1/s1
InChIKeyAZLOTIQJWNKLSU-UKRRQHHQSA-N
XLogP0.71
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol (CID 56910979) is (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol is OC[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
The InChIKey is AZLOTIQJWNKLSU-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-11-13-4-6-20(10-15(13)22)9-12-7-18-16(19-8-12)14-3-1-2-5-17-14/h1-3,5,7-8,13,15,21-22H,4,6,9-11H2/t13-,15-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol has a molecular weight of 300.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 56910979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).