2-pyrrolidin-1-ylpyrimidin-5-ol

C8H11N3O — CID 90342374

IUPAC2-pyrrolidin-1-ylpyrimidin-5-ol
SMILESOc1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H11N3O/c12-7-5-9-8(10-6-7)11-3-1-2-4-11/h5-6,12H,1-4H2
InChIKeySOMPLQAPJWHFQJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.78
Rot. Bonds1

About 2-pyrrolidin-1-ylpyrimidin-5-ol

2-pyrrolidin-1-ylpyrimidin-5-ol (PubChem CID 90342374) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimidin-5-ol.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimidin-5-ol
PubChem CID90342374
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyrrolidin-1-ylpyrimidin-5-ol
SMILESOc1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H11N3O/c12-7-5-9-8(10-6-7)11-3-1-2-4-11/h5-6,12H,1-4H2
InChIKeySOMPLQAPJWHFQJ-UHFFFAOYSA-N
XLogP0.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyrimidin-5-ol?
The IUPAC name of 2-pyrrolidin-1-ylpyrimidin-5-ol (CID 90342374) is 2-pyrrolidin-1-ylpyrimidin-5-ol.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimidin-5-ol?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimidin-5-ol is Oc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimidin-5-ol?
The InChIKey is SOMPLQAPJWHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-7-5-9-8(10-6-7)11-3-1-2-4-11/h5-6,12H,1-4H2.
What are the key properties of 2-pyrrolidin-1-ylpyrimidin-5-ol?
2-pyrrolidin-1-ylpyrimidin-5-ol has a molecular weight of 165.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrimidin-5-ol is sourced from PubChem (CID 90342374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).