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

C19H19N3O5 — CID 121025732

IUPAC3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-26-14-6-4-13(5-7-14)8-9-20-17(23)16-11-21-19(25)22(18(16)24)12-15-3-2-10-27-15/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyPCNVQXREQDGJCZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.16
Rot. Bonds7

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

3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025732) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025732
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-26-14-6-4-13(5-7-14)8-9-20-17(23)16-11-21-19(25)22(18(16)24)12-15-3-2-10-27-15/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyPCNVQXREQDGJCZ-UHFFFAOYSA-N
XLogP1.16
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027104
3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027472
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025863
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
N-[2-(4-methoxyphenoxy)ethyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026209
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
3-(furan-2-ylmethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-N-(2-phenylethyl)quinazoline-7-carboxamide
CID 20857253

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025732) is 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PCNVQXREQDGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-14-6-4-13(5-7-14)8-9-20-17(23)16-11-21-19(25)22(18(16)24)12-15-3-2-10-27-15/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).