[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H21FN4O3 — CID 120929263

IUPAC[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncn1
InChIInChI=1S/C15H21FN4O3/c1-2-23-14-8-13(17-10-18-14)20-9-11(16)7-12(20)15(21)19-3-5-22-6-4-19/h8,10-12H,2-7,9H2,1H3/t11-,12+/m1/s1
InChIKeyHIZUPUAAMHTENI-NEPJUHHUSA-N
MW324.36 g/mol
LogP0.65
Rot. Bonds4

About [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929263) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929263
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncn1
InChIInChI=1S/C15H21FN4O3/c1-2-23-14-8-13(17-10-18-14)20-9-11(16)7-12(20)15(21)19-3-5-22-6-4-19/h8,10-12H,2-7,9H2,1H3/t11-,12+/m1/s1
InChIKeyHIZUPUAAMHTENI-NEPJUHHUSA-N
XLogP0.65
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

Cyclobutyl(3-{[6-(1-piperidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185876
Cyclopentyl{3-[(6-piperidino-4-pyrimidinyl)oxy]-1-pyrrolidinyl}methanone
CID 53185881
N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 53185888
Cyclobutyl{3-[(6-morpholino-4-pyrimidinyl)oxy]-1-pyrrolidinyl}methanone
CID 53185892
(2S)-1-(6-ethoxypyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
CID 97839669
1-[(3S,4S)-4-amino-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521100
1-[(3S,4S)-4-amino-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521101
[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929165
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 122084636
(2S)-N-(2,2-difluoroethyl)-1-(6-ethoxypyrimidin-4-yl)piperidine-2-carboxamide
CID 126454651
3-{4-[(6-Methoxypyrimidin-4-yl)amino]piperidin-1-yl}-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126888222
3-{4-[Cyclopropyl(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl}-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126891293

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929263) is [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is CCOc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncn1.
What is the InChIKey of [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is HIZUPUAAMHTENI-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-2-23-14-8-13(17-10-18-14)20-9-11(16)7-12(20)15(21)19-3-5-22-6-4-19/h8,10-12H,2-7,9H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 324.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(6-ethoxypyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).