4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine

C20H26FN5O — CID 66838893

IUPAC4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
SMILESCC1CNCCN1c1cc(-c2ccc(F)cc2)nc(N2CCOCC2C)n1
InChIInChI=1S/C20H26FN5O/c1-14-12-22-7-8-25(14)19-11-18(16-3-5-17(21)6-4-16)23-20(24-19)26-9-10-27-13-15(26)2/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
InChIKeyRZSXVRWAWVGKDB-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.31
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine

4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine (PubChem CID 66838893) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
PubChem CID66838893
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
SMILESCC1CNCCN1c1cc(-c2ccc(F)cc2)nc(N2CCOCC2C)n1
InChIInChI=1S/C20H26FN5O/c1-14-12-22-7-8-25(14)19-11-18(16-3-5-17(21)6-4-16)23-20(24-19)26-9-10-27-13-15(26)2/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
InChIKeyRZSXVRWAWVGKDB-UHFFFAOYSA-N
XLogP2.31
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
CID 141135548
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-[7-(4-fluorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441858
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687
N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
CID 122624110

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine (CID 66838893) is 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine is CC1CNCCN1c1cc(-c2ccc(F)cc2)nc(N2CCOCC2C)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine?
The InChIKey is RZSXVRWAWVGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14-12-22-7-8-25(14)19-11-18(16-3-5-17(21)6-4-16)23-20(24-19)26-9-10-27-13-15(26)2/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine?
4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine has a molecular weight of 371.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 66838893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).