[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C19H20BrF2N5O2 — CID 134153245

IUPAC[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C19H20BrF2N5O2/c20-13-12-23-19(27-8-10-29-11-9-27)24-17(13)25-4-6-26(7-5-25)18(28)16-14(21)2-1-3-15(16)22/h1-3,12H,4-11H2
InChIKeyJMCVXZQETOMXJG-UHFFFAOYSA-N
MW468.30 g/mol
LogP2.32
Rot. Bonds3

About [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 134153245) has the molecular formula C19H20BrF2N5O2 and a molecular weight of 468.30 g/mol. Its IUPAC name is [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID134153245
Molecular FormulaC19H20BrF2N5O2
Molecular Weight468.30 g/mol
Exact Mass467.08
IUPAC Name[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C19H20BrF2N5O2/c20-13-12-23-19(27-8-10-29-11-9-27)24-17(13)25-4-6-26(7-5-25)18(28)16-14(21)2-1-3-15(16)22/h1-3,12H,4-11H2
InChIKeyJMCVXZQETOMXJG-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46082241
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 68540113
(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158646
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[5-bromo-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134145509
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 134153245) is [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1.
What is the InChIKey of [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is JMCVXZQETOMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N5O2/c20-13-12-23-19(27-8-10-29-11-9-27)24-17(13)25-4-6-26(7-5-25)18(28)16-14(21)2-1-3-15(16)22/h1-3,12H,4-11H2.
What are the key properties of [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 468.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 134153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).