3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

C18H17N5O5 — CID 121121583

IUPAC3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnccc2=O)c1=O
InChIInChI=1S/C18H17N5O5/c1-28-14-5-3-2-4-13(14)23-17(26)12(10-21-18(23)27)16(25)20-8-9-22-11-19-7-6-15(22)24/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,27)
InChIKeyANNLEXJOXBVYAH-UHFFFAOYSA-N
MW383.36 g/mol
LogP-0.48
Rot. Bonds6

About 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 121121583) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID121121583
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnccc2=O)c1=O
InChIInChI=1S/C18H17N5O5/c1-28-14-5-3-2-4-13(14)23-17(26)12(10-21-18(23)27)16(25)20-8-9-22-11-19-7-6-15(22)24/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,27)
InChIKeyANNLEXJOXBVYAH-UHFFFAOYSA-N
XLogP-0.48
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121119362
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121106806
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 90547204
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90516273
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121120476
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122277998
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 126832926
1-butyl-3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
CID 174497666
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 121121583) is 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is COc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnccc2=O)c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is ANNLEXJOXBVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-28-14-5-3-2-4-13(14)23-17(26)12(10-21-18(23)27)16(25)20-8-9-22-11-19-7-6-15(22)24/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,27).
What are the key properties of 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 383.36 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121121583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).