1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol

C10H15N3O2 — CID 53415334

IUPAC1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCc1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H15N3O2/c14-7-8-5-11-10(12-6-8)13-3-1-9(15)2-4-13/h5-6,9,14-15H,1-4,7H2
InChIKeyXTMYQZNNRUBFCJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.07
Rot. Bonds2

About 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol

1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 53415334) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID53415334
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCc1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H15N3O2/c14-7-8-5-11-10(12-6-8)13-3-1-9(15)2-4-13/h5-6,9,14-15H,1-4,7H2
InChIKeyXTMYQZNNRUBFCJ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol (CID 53415334) is 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol is OCc1cnc(N2CCC(O)CC2)nc1.
What is the InChIKey of 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is XTMYQZNNRUBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-7-8-5-11-10(12-6-8)13-3-1-9(15)2-4-13/h5-6,9,14-15H,1-4,7H2.
What are the key properties of 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol?
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 209.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 53415334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).