1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol

C18H21FN4O2 — CID 50985235

IUPAC1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol
SMILESOC1(c2ccccc2)CCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-15-12-20-17(21-16(15)22-8-10-25-11-9-22)23-7-6-18(24,13-23)14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2
InChIKeyHUYYXZUTJBFOSB-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol

1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol (PubChem CID 50985235) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol
PubChem CID50985235
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol
SMILESOC1(c2ccccc2)CCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-15-12-20-17(21-16(15)22-8-10-25-11-9-22)23-7-6-18(24,13-23)14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2
InChIKeyHUYYXZUTJBFOSB-UHFFFAOYSA-N
XLogP1.55
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol (CID 50985235) is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol is OC1(c2ccccc2)CCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol?
The InChIKey is HUYYXZUTJBFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-12-20-17(21-16(15)22-8-10-25-11-9-22)23-7-6-18(24,13-23)14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2.
What are the key properties of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol?
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol has a molecular weight of 344.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 50985235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).