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

C9H13N3O4 — CID 11379158

IUPAC5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc([C@H]2C[C@H](O)[C@@H](CO)N2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-3-6-7(14)1-5(11-6)4-2-10-9(16)12-8(4)15/h2,5-7,11,13-14H,1,3H2,(H2,10,12,15,16)/t5-,6-,7+/m1/s1
InChIKeyGDUQXXRGHHXTBO-QYNIQEEDSA-N
MW227.22 g/mol
LogP-2.18
Rot. Bonds2

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

5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 11379158) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID11379158
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc([C@H]2C[C@H](O)[C@@H](CO)N2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-3-6-7(14)1-5(11-6)4-2-10-9(16)12-8(4)15/h2,5-7,11,13-14H,1,3H2,(H2,10,12,15,16)/t5-,6-,7+/m1/s1
InChIKeyGDUQXXRGHHXTBO-QYNIQEEDSA-N
XLogP-2.18
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (CID 11379158) is 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc([C@H]2C[C@H](O)[C@@H](CO)N2)c(=O)[nH]1.
What is the InChIKey of 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GDUQXXRGHHXTBO-QYNIQEEDSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-3-6-7(14)1-5(11-6)4-2-10-9(16)12-8(4)15/h2,5-7,11,13-14H,1,3H2,(H2,10,12,15,16)/t5-,6-,7+/m1/s1.
What are the key properties of 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of -2.18, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11379158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).