5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

C9H11N3O3 — CID 110091367

IUPAC5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(O)C1
InChIInChI=1S/C9H11N3O3/c13-6-1-2-12(4-6)9(15)7-3-10-5-11-8(7)14/h3,5-6,13H,1-2,4H2,(H,10,11,14)
InChIKeyGNWQBOGCDQAPQC-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.02
Rot. Bonds1

About 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110091367) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110091367
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(O)C1
InChIInChI=1S/C9H11N3O3/c13-6-1-2-12(4-6)9(15)7-3-10-5-11-8(7)14/h3,5-6,13H,1-2,4H2,(H,10,11,14)
InChIKeyGNWQBOGCDQAPQC-UHFFFAOYSA-N
XLogP-1.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
5-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56751503
4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
CID 110850252
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72867263
5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 56910801
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
(4aS,8aR)-6-(6-oxo-1H-pyrimidine-5-carbonyl)-1-(2-phenylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70708685
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638280

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110091367) is 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is GNWQBOGCDQAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-6-1-2-12(4-6)9(15)7-3-10-5-11-8(7)14/h3,5-6,13H,1-2,4H2,(H,10,11,14).
What are the key properties of 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 209.20 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110091367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).