N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C19H19N3O4 — CID 121025966

IUPACN-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)n(Cc2ccco2)c1=O)c1ccccc1C
InChIInChI=1S/C19H19N3O4/c1-3-21(16-9-5-4-7-13(16)2)17(23)15-11-20-19(25)22(18(15)24)12-14-8-6-10-26-14/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyFDYOPUQIJZKOJG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025966) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025966
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)n(Cc2ccco2)c1=O)c1ccccc1C
InChIInChI=1S/C19H19N3O4/c1-3-21(16-9-5-4-7-13(16)2)17(23)15-11-20-19(25)22(18(15)24)12-14-8-6-10-26-14/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyFDYOPUQIJZKOJG-UHFFFAOYSA-N
XLogP2.15
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea
CID 7943561
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025966) is N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1c[nH]c(=O)n(Cc2ccco2)c1=O)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FDYOPUQIJZKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-21(16-9-5-4-7-13(16)2)17(23)15-11-20-19(25)22(18(15)24)12-14-8-6-10-26-14/h4-11H,3,12H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).