2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

C24H26FN3O4 — CID 95185503

IUPAC2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C24H26FN3O4/c1-15(17-6-5-9-20(13-17)32-3)26-22(30)14-28-23(18-7-4-8-19(25)12-18)27-16(2)21(10-11-29)24(28)31/h4-9,12-13,15,29H,10-11,14H2,1-3H3,(H,26,30)/t15-/m0/s1
InChIKeyNNQPICMHNTYMLE-HNNXBMFYSA-N
MW439.49 g/mol
LogP2.78
Rot. Bonds8

About 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 95185503) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID95185503
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C24H26FN3O4/c1-15(17-6-5-9-20(13-17)32-3)26-22(30)14-28-23(18-7-4-8-19(25)12-18)27-16(2)21(10-11-29)24(28)31/h4-9,12-13,15,29H,10-11,14H2,1-3H3,(H,26,30)/t15-/m0/s1
InChIKeyNNQPICMHNTYMLE-HNNXBMFYSA-N
XLogP2.78
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (CID 95185503) is 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is COc1cccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is NNQPICMHNTYMLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-15(17-6-5-9-20(13-17)32-3)26-22(30)14-28-23(18-7-4-8-19(25)12-18)27-16(2)21(10-11-29)24(28)31/h4-9,12-13,15,29H,10-11,14H2,1-3H3,(H,26,30)/t15-/m0/s1.
What are the key properties of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 439.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 95185503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).