1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C12H13N3O2 — CID 126848543

IUPAC1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3ccoc3)ncn2)C1
InChIInChI=1S/C12H13N3O2/c16-10-1-3-15(6-10)12-5-11(13-8-14-12)9-2-4-17-7-9/h2,4-5,7-8,10,16H,1,3,6H2
InChIKeyXCLWOMZXWTVKNA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.31
Rot. Bonds2

About 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 126848543) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID126848543
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3ccoc3)ncn2)C1
InChIInChI=1S/C12H13N3O2/c16-10-1-3-15(6-10)12-5-11(13-8-14-12)9-2-4-17-7-9/h2,4-5,7-8,10,16H,1,3,6H2
InChIKeyXCLWOMZXWTVKNA-UHFFFAOYSA-N
XLogP1.31
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 126848543) is 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2cc(-c3ccoc3)ncn2)C1.
What is the InChIKey of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is XCLWOMZXWTVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-1-3-15(6-10)12-5-11(13-8-14-12)9-2-4-17-7-9/h2,4-5,7-8,10,16H,1,3,6H2.
What are the key properties of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 231.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 126848543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).