[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

C13H17FN4O3 — CID 129491157

IUPAC[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H17FN4O3/c14-10-7-15-12(16-8-10)21-11-1-2-18(9-11)13(19)17-3-5-20-6-4-17/h7-8,11H,1-6,9H2/t11-/m0/s1
InChIKeyXVICSYCBTBGERY-NSHDSACASA-N
MW296.30 g/mol
LogP0.52
Rot. Bonds2

About [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 129491157) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID129491157
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Name[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H17FN4O3/c14-10-7-15-12(16-8-10)21-11-1-2-18(9-11)13(19)17-3-5-20-6-4-17/h7-8,11H,1-6,9H2/t11-/m0/s1
InChIKeyXVICSYCBTBGERY-NSHDSACASA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
(4aR,7aR)-4-[2-(dimethylamino)ethyl]-6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402663
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
ethyl 2-[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]acetate
CID 97510739
2-[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N,N-dimethylacetamide
CID 97510740
4-(2-Butoxy-5-fluoropyrimidin-4-yl)morpholine
CID 172695039
1-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}pyrrolidin-2-one
CID 50950817
4-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one
CID 75482849
1-[(4aR,9aR)-7-(5-fluoropyrimidin-2-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-4-yl]ethanone
CID 97511257
4-(5-Fluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 121020737
1-(3-((5-Fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 121542774
(4aS,7aR)-6-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-sulfonamide
CID 124801039

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 129491157) is [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC[C@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is XVICSYCBTBGERY-NSHDSACASA-N. The full InChI is InChI=1S/C13H17FN4O3/c14-10-7-15-12(16-8-10)21-11-1-2-18(9-11)13(19)17-3-5-20-6-4-17/h7-8,11H,1-6,9H2/t11-/m0/s1.
What are the key properties of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 296.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129491157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).