2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide

C21H26FN5O2 — CID 154784273

IUPAC2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide
SMILESCC(C)=C(F)C(=O)NCC1(C)CN(c2cc(C)nc(-c3ccncc3)n2)CCO1
InChIInChI=1S/C21H26FN5O2/c1-14(2)18(22)20(28)24-12-21(4)13-27(9-10-29-21)17-11-15(3)25-19(26-17)16-5-7-23-8-6-16/h5-8,11H,9-10,12-13H2,1-4H3,(H,24,28)
InChIKeyBBWYVBWWNJDFFD-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.82
Rot. Bonds5

About 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide

2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide (PubChem CID 154784273) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide
PubChem CID154784273
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide
SMILESCC(C)=C(F)C(=O)NCC1(C)CN(c2cc(C)nc(-c3ccncc3)n2)CCO1
InChIInChI=1S/C21H26FN5O2/c1-14(2)18(22)20(28)24-12-21(4)13-27(9-10-29-21)17-11-15(3)25-19(26-17)16-5-7-23-8-6-16/h5-8,11H,9-10,12-13H2,1-4H3,(H,24,28)
InChIKeyBBWYVBWWNJDFFD-UHFFFAOYSA-N
XLogP2.82
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
ethyl 3-methyl-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylate
CID 133387279
(3-methylpiperidin-1-yl)-[1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 48931330
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide
CID 138049196
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
2-[ethyl(methyl)amino]-N-[[4-[2-(methoxymethyl)pyrimidin-4-yl]-2-methylmorpholin-2-yl]methyl]acetamide
CID 167857909
2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide
CID 154784022
N-[[4-(3-cyano-6-methyl-2-pyridinyl)-2-methylmorpholin-2-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 154787678
3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 126788219

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide?
The IUPAC name of 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide (CID 154784273) is 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide is CC(C)=C(F)C(=O)NCC1(C)CN(c2cc(C)nc(-c3ccncc3)n2)CCO1.
What is the InChIKey of 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide?
The InChIKey is BBWYVBWWNJDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-14(2)18(22)20(28)24-12-21(4)13-27(9-10-29-21)17-11-15(3)25-19(26-17)16-5-7-23-8-6-16/h5-8,11H,9-10,12-13H2,1-4H3,(H,24,28).
What are the key properties of 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide?
2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide has a molecular weight of 399.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide is sourced from PubChem (CID 154784273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).