[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone

C18H21N5O3 — CID 95108110

IUPAC[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-1-4-19-5-2-14)23-6-3-15(12-23)26-17-11-16(20-13-21-17)22-7-9-25-10-8-22/h1-2,4-5,11,13,15H,3,6-10,12H2/t15-/m0/s1
InChIKeyJUXYWHNFAGTSJD-HNNXBMFYSA-N
MW355.40 g/mol
LogP1.00
Rot. Bonds4

About [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95108110) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95108110
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-1-4-19-5-2-14)23-6-3-15(12-23)26-17-11-16(20-13-21-17)22-7-9-25-10-8-22/h1-2,4-5,11,13,15H,3,6-10,12H2/t15-/m0/s1
InChIKeyJUXYWHNFAGTSJD-HNNXBMFYSA-N
XLogP1.00
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185889
[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 71836800
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 95108044
[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95108089
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide
CID 95108130
[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66747951
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 95108110) is [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JUXYWHNFAGTSJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-18(14-1-4-19-5-2-14)23-6-3-15(12-23)26-17-11-16(20-13-21-17)22-7-9-25-10-8-22/h1-2,4-5,11,13,15H,3,6-10,12H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 355.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).