1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol

C16H18FN3O2 — CID 135094726

IUPAC1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCOc1nc(N2CCC(O)(c3ccccc3C)C2)ncc1F
InChIInChI=1S/C16H18FN3O2/c1-11-5-3-4-6-12(11)16(21)7-8-20(10-16)15-18-9-13(17)14(19-15)22-2/h3-6,9,21H,7-8,10H2,1-2H3
InChIKeyOFLLEWMREFGWMY-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.03
Rot. Bonds3

About 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol

1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 135094726) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID135094726
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCOc1nc(N2CCC(O)(c3ccccc3C)C2)ncc1F
InChIInChI=1S/C16H18FN3O2/c1-11-5-3-4-6-12(11)16(21)7-8-20(10-16)15-18-9-13(17)14(19-15)22-2/h3-6,9,21H,7-8,10H2,1-2H3
InChIKeyOFLLEWMREFGWMY-UHFFFAOYSA-N
XLogP2.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol (CID 135094726) is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol is COc1nc(N2CCC(O)(c3ccccc3C)C2)ncc1F.
What is the InChIKey of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is OFLLEWMREFGWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-5-3-4-6-12(11)16(21)7-8-20(10-16)15-18-9-13(17)14(19-15)22-2/h3-6,9,21H,7-8,10H2,1-2H3.
What are the key properties of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol?
1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 303.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 135094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).