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

C9H13N3O3 — CID 5251904

IUPAC5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCC(CO)N2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-4-5-1-2-7(11-5)6-3-10-9(15)12-8(6)14/h3,5,7,11,13H,1-2,4H2,(H2,10,12,14,15)
InChIKeyIXPXAOFBXNFVRG-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.15
Rot. Bonds2

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

5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 5251904) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID5251904
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCC(CO)N2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-4-5-1-2-7(11-5)6-3-10-9(15)12-8(6)14/h3,5,7,11,13H,1-2,4H2,(H2,10,12,14,15)
InChIKeyIXPXAOFBXNFVRG-UHFFFAOYSA-N
XLogP-1.15
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (CID 5251904) is 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C2CCC(CO)N2)c(=O)[nH]1.
What is the InChIKey of 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is IXPXAOFBXNFVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-4-5-1-2-7(11-5)6-3-10-9(15)12-8(6)14/h3,5,7,11,13H,1-2,4H2,(H2,10,12,14,15).
What are the key properties of 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5251904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).