ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol

C11H18FN3O — CID 144625422

IUPACethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC.Cc1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyMVNFWYCNALXSPT-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.52
Rot. Bonds1

About ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol

ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 144625422) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID144625422
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Nameethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCC.Cc1nc(N2CCC(O)C2)ncc1F
InChIInChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyMVNFWYCNALXSPT-UHFFFAOYSA-N
XLogP1.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol (CID 144625422) is ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol is CC.Cc1nc(N2CCC(O)C2)ncc1F.
What is the InChIKey of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is MVNFWYCNALXSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O.C2H6/c1-6-8(10)4-11-9(12-6)13-3-2-7(14)5-13;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol?
ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 227.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 144625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).