3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

C19H21FN4O3 — CID 125447195

IUPAC3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1
InChIKeyKTZBMKYVNWWFSB-HNNXBMFYSA-N
MW372.40 g/mol
LogP1.64
Rot. Bonds4

About 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125447195) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID125447195
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1
InChIKeyKTZBMKYVNWWFSB-HNNXBMFYSA-N
XLogP1.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (CID 125447195) is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is O=C(N[C@H]1CCOC1)c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is KTZBMKYVNWWFSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-16-11-21-17(23-18(16)24-5-8-26-9-6-24)13-2-1-3-14(10-13)19(25)22-15-4-7-27-12-15/h1-3,10-11,15H,4-9,12H2,(H,22,25)/t15-/m0/s1.
What are the key properties of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).