2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H11N3O2 — CID 59525968

IUPAC2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCC(O)C2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8-9-3-1-7(13)10-8/h1,3,6,12H,2,4-5H2,(H,9,10,13)
InChIKeyPIPOBLLRABKKKU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.66
Rot. Bonds1

About 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 59525968) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID59525968
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCC(O)C2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8-9-3-1-7(13)10-8/h1,3,6,12H,2,4-5H2,(H,9,10,13)
InChIKeyPIPOBLLRABKKKU-UHFFFAOYSA-N
XLogP-0.66
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 59525968) is 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1ccnc(N2CCC(O)C2)[nH]1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PIPOBLLRABKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8-9-3-1-7(13)10-8/h1,3,6,12H,2,4-5H2,(H,9,10,13).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 59525968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).