(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone

C21H26FN5O3 — CID 122333575

IUPAC(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1F
InChIInChI=1S/C21H26FN5O3/c1-15-13-19(25-9-11-30-12-10-25)24-21(23-15)27-7-5-26(6-8-27)20(28)16-3-4-18(29-2)17(22)14-16/h3-4,13-14H,5-12H2,1-2H3
InChIKeyXEIVGPMUYULUAA-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.73
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 122333575) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID122333575
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1F
InChIInChI=1S/C21H26FN5O3/c1-15-13-19(25-9-11-30-12-10-25)24-21(23-15)27-7-5-26(6-8-27)20(28)16-3-4-18(29-2)17(22)14-16/h3-4,13-14H,5-12H2,1-2H3
InChIKeyXEIVGPMUYULUAA-UHFFFAOYSA-N
XLogP1.73
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339788
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
1,3-benzodioxol-5-yl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50946556
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122340045
1,3-benzothiazol-6-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333497
N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 50947593
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
(5-bromo-3-pyridinyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333504
(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
2-(2-fluorophenyl)-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333558

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 122333575) is (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is XEIVGPMUYULUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-15-13-19(25-9-11-30-12-10-25)24-21(23-15)27-7-5-26(6-8-27)20(28)16-3-4-18(29-2)17(22)14-16/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 415.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122333575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).