2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C20H26N4O5 — CID 91903932

IUPAC2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C20H26N4O5/c1-27-14-16-11-19(26)24(20(22-16)23-6-8-29-9-7-23)13-18(25)21-12-15-4-3-5-17(10-15)28-2/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,21,25)
InChIKeyCVAVJKZTDMVRPB-UHFFFAOYSA-N
MW402.45 g/mol
LogP0.55
Rot. Bonds8

About 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 91903932) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID91903932
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C20H26N4O5/c1-27-14-16-11-19(26)24(20(22-16)23-6-8-29-9-7-23)13-18(25)21-12-15-4-3-5-17(10-15)28-2/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,21,25)
InChIKeyCVAVJKZTDMVRPB-UHFFFAOYSA-N
XLogP0.55
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 91903932) is 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N2CCOCC2)n1.
What is the InChIKey of 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is CVAVJKZTDMVRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-27-14-16-11-19(26)24(20(22-16)23-6-8-29-9-7-23)13-18(25)21-12-15-4-3-5-17(10-15)28-2/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91903932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).