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

C18H17N3O5 — CID 121025706

IUPACN-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1
InChIInChI=1S/C18H17N3O5/c1-2-25-13-7-5-12(6-8-13)20-16(22)15-10-19-18(24)21(17(15)23)11-14-4-3-9-26-14/h3-10H,2,11H2,1H3,(H,19,24)(H,20,22)
InChIKeyJCUDHNWGBXWABR-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.83
Rot. Bonds6

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

N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025706) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025706
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1
InChIInChI=1S/C18H17N3O5/c1-2-25-13-7-5-12(6-8-13)20-16(22)15-10-19-18(24)21(17(15)23)11-14-4-3-9-26-14/h3-10H,2,11H2,1H3,(H,19,24)(H,20,22)
InChIKeyJCUDHNWGBXWABR-UHFFFAOYSA-N
XLogP1.83
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025863
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025763
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
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
N-(4-ethylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026084
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025706) is N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JCUDHNWGBXWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-2-25-13-7-5-12(6-8-13)20-16(22)15-10-19-18(24)21(17(15)23)11-14-4-3-9-26-14/h3-10H,2,11H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).