N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide

C22H22FN3O3 — CID 51368525

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO
InChIInChI=1S/C22H22FN3O3/c1-15-19(11-12-27)22(29)26(21(25-15)17-5-3-2-4-6-17)14-20(28)24-13-16-7-9-18(23)10-8-16/h2-10,27H,11-14H2,1H3,(H,24,28)
InChIKeyYRHUCUCJPLIWES-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.21
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide (PubChem CID 51368525) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
PubChem CID51368525
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO
InChIInChI=1S/C22H22FN3O3/c1-15-19(11-12-27)22(29)26(21(25-15)17-5-3-2-4-6-17)14-20(28)24-13-16-7-9-18(23)10-8-16/h2-10,27H,11-14H2,1H3,(H,24,28)
InChIKeyYRHUCUCJPLIWES-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-3-[(4-hydroxybutyl)amino]-2-oxo-6-phenyl-1,2-dihydropyrazin-1-yl}acetamide
CID 10961900
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-fluorobenzyl)acetamide
CID 51368976
N-(3-chloro-4-fluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]acetamide
CID 51368519
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51368710
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
CID 51368739
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 51368746
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-phenylacetamide
CID 51368758
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-fluorophenyl)acetamide
CID 51368953
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(2-fluorophenyl)acetamide
CID 51368965
3-[(2-Chloro-4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenyl-3,4-dihydropyrimidin-4-one
CID 91911988
2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydropyrimidin-4-one
CID 91912023
2-(4-Chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 91912042

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide (CID 51368525) is N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide is Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
The InChIKey is YRHUCUCJPLIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-19(11-12-27)22(29)26(21(25-15)17-5-3-2-4-6-17)14-20(28)24-13-16-7-9-18(23)10-8-16/h2-10,27H,11-14H2,1H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).