5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

C10H15N3O4 — CID 100996189

IUPAC5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(N2CC[C@H](CO)[C@@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-5-6-1-2-13(4-8(6)15)7-3-11-10(17)12-9(7)16/h3,6,8,14-15H,1-2,4-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1
InChIKeyIIPYOBUBHFDTEI-SVRRBLITSA-N
MW241.25 g/mol
LogP-1.76
Rot. Bonds2

About 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 100996189) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID100996189
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(N2CC[C@H](CO)[C@@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-5-6-1-2-13(4-8(6)15)7-3-11-10(17)12-9(7)16/h3,6,8,14-15H,1-2,4-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1
InChIKeyIIPYOBUBHFDTEI-SVRRBLITSA-N
XLogP-1.76
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 100996189) is 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(N2CC[C@H](CO)[C@@H](O)C2)c(=O)[nH]1.
What is the InChIKey of 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is IIPYOBUBHFDTEI-SVRRBLITSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-5-6-1-2-13(4-8(6)15)7-3-11-10(17)12-9(7)16/h3,6,8,14-15H,1-2,4-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1.
What are the key properties of 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of -1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 100996189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).