[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H19FN4O3 — CID 120929165

IUPAC[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H19FN4O3/c1-21-12-2-3-16-14(17-12)19-9-10(15)8-11(19)13(20)18-4-6-22-7-5-18/h2-3,10-11H,4-9H2,1H3/t10-,11+/m1/s1
InChIKeyGBWDUPIPPWVOGG-MNOVXSKESA-N
MW310.33 g/mol
LogP0.26
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929165) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929165
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H19FN4O3/c1-21-12-2-3-16-14(17-12)19-9-10(15)8-11(19)13(20)18-4-6-22-7-5-18/h2-3,10-11H,4-9H2,1H3/t10-,11+/m1/s1
InChIKeyGBWDUPIPPWVOGG-MNOVXSKESA-N
XLogP0.26
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929165) is [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is COc1ccnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GBWDUPIPPWVOGG-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-21-12-2-3-16-14(17-12)19-9-10(15)8-11(19)13(20)18-4-6-22-7-5-18/h2-3,10-11H,4-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 310.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).