1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C11H15N3O4 — CID 66261826

IUPAC1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O4/c15-7-8-2-1-4-14(8)10(17)6-13-5-3-9(16)12-11(13)18/h3,5,8,15H,1-2,4,6-7H2,(H,12,16,18)/t8-/m0/s1
InChIKeyMFEIMZXQJUALRB-QMMMGPOBSA-N
MW253.26 g/mol
LogP-1.48
Rot. Bonds3

About 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66261826) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66261826
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O4/c15-7-8-2-1-4-14(8)10(17)6-13-5-3-9(16)12-11(13)18/h3,5,8,15H,1-2,4,6-7H2,(H,12,16,18)/t8-/m0/s1
InChIKeyMFEIMZXQJUALRB-QMMMGPOBSA-N
XLogP-1.48
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 66261826) is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1CO.
What is the InChIKey of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is MFEIMZXQJUALRB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-8-2-1-4-14(8)10(17)6-13-5-3-9(16)12-11(13)18/h3,5,8,15H,1-2,4,6-7H2,(H,12,16,18)/t8-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66261826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).