4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H11N3O2 — CID 30033457

IUPAC4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-5-7(13)10-8(9-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKeyWHTJTQUPBCWKFQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.08
Rot. Bonds1

About 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 30033457) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID30033457
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-5-7(13)10-8(9-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKeyWHTJTQUPBCWKFQ-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 30033457) is 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1cc(O)nc(N2CCCC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is WHTJTQUPBCWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-6-5-7(13)10-8(9-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12,13).
What are the key properties of 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 30033457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).