N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

C23H24FN3O3 — CID 51368763

IUPACN-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C23H24FN3O3/c1-14-4-5-15(2)20(12-14)26-21(29)13-27-22(17-6-8-18(24)9-7-17)25-16(3)19(10-11-28)23(27)30/h4-9,12,28H,10-11,13H2,1-3H3,(H,26,29)
InChIKeyXOVWAMSBNIWBAJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.15
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51368763) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51368763
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C23H24FN3O3/c1-14-4-5-15(2)20(12-14)26-21(29)13-27-22(17-6-8-18(24)9-7-17)25-16(3)19(10-11-28)23(27)30/h4-9,12,28H,10-11,13H2,1-3H3,(H,26,29)
InChIKeyXOVWAMSBNIWBAJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51368763) is N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is XOVWAMSBNIWBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-14-4-5-15(2)20(12-14)26-21(29)13-27-22(17-6-8-18(24)9-7-17)25-16(3)19(10-11-28)23(27)30/h4-9,12,28H,10-11,13H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).