[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H21FN4O3 — CID 120929169

IUPAC[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O3/c1-10-7-13(22-2)18-15(17-10)20-9-11(16)8-12(20)14(21)19-3-5-23-6-4-19/h7,11-12H,3-6,8-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyJJYVYXKFQHFHJX-NEPJUHHUSA-N
MW324.36 g/mol
LogP0.57
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929169) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929169
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O3/c1-10-7-13(22-2)18-15(17-10)20-9-11(16)8-12(20)14(21)19-3-5-23-6-4-19/h7,11-12H,3-6,8-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyJJYVYXKFQHFHJX-NEPJUHHUSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.57
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-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929169) is [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is COc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JJYVYXKFQHFHJX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-10-7-13(22-2)18-15(17-10)20-9-11(16)8-12(20)14(21)19-3-5-23-6-4-19/h7,11-12H,3-6,8-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 324.36 g/mol, XLogP of 0.57, 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-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).