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

C19H19N5O5 — CID 121119362

IUPAC3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnc(C)cc2=O)c1=O
InChIInChI=1S/C19H19N5O5/c1-12-9-16(25)23(11-22-12)8-7-20-17(26)13-10-21-19(28)24(18(13)27)14-5-3-4-6-15(14)29-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,26)(H,21,28)
InChIKeyPPMANUJVXMFALW-UHFFFAOYSA-N
MW397.39 g/mol
LogP-0.17
Rot. Bonds6

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

3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121119362) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121119362
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnc(C)cc2=O)c1=O
InChIInChI=1S/C19H19N5O5/c1-12-9-16(25)23(11-22-12)8-7-20-17(26)13-10-21-19(28)24(18(13)27)14-5-3-4-6-15(14)29-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,26)(H,21,28)
InChIKeyPPMANUJVXMFALW-UHFFFAOYSA-N
XLogP-0.17
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121121583
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
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
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 90547204
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 121119306
1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121119362) is 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccccc1-n1c(=O)[nH]cc(C(=O)NCCn2cnc(C)cc2=O)c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PPMANUJVXMFALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-12-9-16(25)23(11-22-12)8-7-20-17(26)13-10-21-19(28)24(18(13)27)14-5-3-4-6-15(14)29-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,26)(H,21,28).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 397.39 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121119362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).