N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide

C19H24FN5O — CID 123592396

IUPACN-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc(F)c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C19H24FN5O/c1-13-8-10-25(11-9-13)18-17(20)12-21-19(23-18)22-15-4-6-16(7-5-15)24(3)14(2)26/h4-7,12-13H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyZLCQURLULPUTTH-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.58
Rot. Bonds4

About N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide

N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide (PubChem CID 123592396) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
PubChem CID123592396
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncc(F)c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C19H24FN5O/c1-13-8-10-25(11-9-13)18-17(20)12-21-19(23-18)22-15-4-6-16(7-5-15)24(3)14(2)26/h4-7,12-13H,8-11H2,1-3H3,(H,21,22,23)
InChIKeyZLCQURLULPUTTH-UHFFFAOYSA-N
XLogP3.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-[4-[acetyl(methyl)amino]anilino]-5-fluoropyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68994446
N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 11660432
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
[1-[2-[4-[acetyl(methyl)amino]anilino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68753385
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
4-tert-butyl-N-[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]pyrrolidin-3-yl]benzamide
CID 135370188
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
cyclopropyl-[(1S,5R)-3-[5-fluoro-2-(pyridazin-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 118878199
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908
1-[2-(3-chloro-4-fluoroanilino)-5-pyrimidin-5-ylpyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 59353943

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide (CID 123592396) is N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Nc2ncc(F)c(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
The InChIKey is ZLCQURLULPUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13-8-10-25(11-9-13)18-17(20)12-21-19(23-18)22-15-4-6-16(7-5-15)24(3)14(2)26/h4-7,12-13H,8-11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide?
N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide has a molecular weight of 357.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 123592396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).