5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H15N3O4 — CID 114799275

IUPAC5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCC(CCO)C1
InChIInChI=1S/C11H15N3O4/c15-4-2-7-1-3-14(6-7)10(17)8-5-12-11(18)13-9(8)16/h5,7,15H,1-4,6H2,(H2,12,13,16,18)
InChIKeyPPAOYNYQFYNPQS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.09
Rot. Bonds3

About 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 114799275) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID114799275
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCC(CCO)C1
InChIInChI=1S/C11H15N3O4/c15-4-2-7-1-3-14(6-7)10(17)8-5-12-11(18)13-9(8)16/h5,7,15H,1-4,6H2,(H2,12,13,16,18)
InChIKeyPPAOYNYQFYNPQS-UHFFFAOYSA-N
XLogP-1.09
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 79615225
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106403
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
5-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596052
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114799248
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 115775106
5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 99949676
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 131927463

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 114799275) is 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC(CCO)C1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PPAOYNYQFYNPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-4-2-7-1-3-14(6-7)10(17)8-5-12-11(18)13-9(8)16/h5,7,15H,1-4,6H2,(H2,12,13,16,18).
What are the key properties of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114799275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).