2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

C21H21FN4O2 — CID 95922735

IUPAC2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cc(C)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-6-8-16(9-7-14)12-23-19(27)13-28-20-10-15(2)24-21(26-20)25-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZFWCEBGMZWLSJR-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 95922735) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID95922735
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cc(C)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-6-8-16(9-7-14)12-23-19(27)13-28-20-10-15(2)24-21(26-20)25-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZFWCEBGMZWLSJR-UHFFFAOYSA-N
XLogP3.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136960
N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
CID 95922726
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109329461
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110784568
N-[3-[[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112917572
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (CID 95922735) is 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2cc(C)nc(Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ZFWCEBGMZWLSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-6-8-16(9-7-14)12-23-19(27)13-28-20-10-15(2)24-21(26-20)25-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoroanilino)-6-methylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 95922735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).