N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C19H23FN4O4 — CID 50926654

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCOCC2)n1
InChIInChI=1S/C19H23FN4O4/c1-27-13-16-10-18(26)24(19(22-16)23-6-8-28-9-7-23)12-17(25)21-11-14-2-4-15(20)5-3-14/h2-5,10H,6-9,11-13H2,1H3,(H,21,25)
InChIKeyMQYQZLXWVSXXNJ-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.68
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 50926654) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID50926654
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCOCC2)n1
InChIInChI=1S/C19H23FN4O4/c1-27-13-16-10-18(26)24(19(22-16)23-6-8-28-9-7-23)12-17(25)21-11-14-2-4-15(20)5-3-14/h2-5,10H,6-9,11-13H2,1H3,(H,21,25)
InChIKeyMQYQZLXWVSXXNJ-UHFFFAOYSA-N
XLogP0.68
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 50926654) is N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCOCC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is MQYQZLXWVSXXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-27-13-16-10-18(26)24(19(22-16)23-6-8-28-9-7-23)12-17(25)21-11-14-2-4-15(20)5-3-14/h2-5,10H,6-9,11-13H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 390.42 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50926654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).