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

C18H21N5O3 — CID 53185891

IUPAC[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-2-1-4-19-11-14)23-5-3-15(12-23)26-17-10-16(20-13-21-17)22-6-8-25-9-7-22/h1-2,4,10-11,13,15H,3,5-9,12H2
InChIKeyIKFACSHHOCPVBM-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.00
Rot. Bonds4

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

[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53185891) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID53185891
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-2-1-4-19-11-14)23-5-3-15(12-23)26-17-10-16(20-13-21-17)22-6-8-25-9-7-22/h1-2,4,10-11,13,15H,3,5-9,12H2
InChIKeyIKFACSHHOCPVBM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 53185891) is [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IKFACSHHOCPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-18(14-2-1-4-19-11-14)23-5-3-15(12-23)26-17-10-16(20-13-21-17)22-6-8-25-9-7-22/h1-2,4,10-11,13,15H,3,5-9,12H2.
What are the key properties of [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-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 [3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53185891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).