N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

C19H23ClN4O5 — CID 50926679

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O5/c1-27-12-14-10-18(26)24(19(21-14)23-5-7-29-8-6-23)11-17(25)22-15-9-13(20)3-4-16(15)28-2/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,22,25)
InChIKeyJBJVGXIYMCEAAC-UHFFFAOYSA-N
MW422.87 g/mol
LogP1.53
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 50926679) has the molecular formula C19H23ClN4O5 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
PubChem CID50926679
Molecular FormulaC19H23ClN4O5
Molecular Weight422.87 g/mol
Exact Mass422.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c(N2CCOCC2)n1
InChIInChI=1S/C19H23ClN4O5/c1-27-12-14-10-18(26)24(19(21-14)23-5-7-29-8-6-23)11-17(25)22-15-9-13(20)3-4-16(15)28-2/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,22,25)
InChIKeyJBJVGXIYMCEAAC-UHFFFAOYSA-N
XLogP1.53
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide (CID 50926679) is N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c(N2CCOCC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is JBJVGXIYMCEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O5/c1-27-12-14-10-18(26)24(19(21-14)23-5-7-29-8-6-23)11-17(25)22-15-9-13(20)3-4-16(15)28-2/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50926679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).