3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide

C19H19N3O4 — CID 121025718

IUPAC3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c(C)c1
InChIInChI=1S/C19H19N3O4/c1-11-7-12(2)16(13(3)8-11)21-17(23)15-9-20-19(25)22(18(15)24)10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyZJZFAWOZQMPKNE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide

3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025718) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
PubChem CID121025718
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c(C)c1
InChIInChI=1S/C19H19N3O4/c1-11-7-12(2)16(13(3)8-11)21-17(23)15-9-20-19(25)22(18(15)24)10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyZJZFAWOZQMPKNE-UHFFFAOYSA-N
XLogP2.36
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
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)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025763
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
CID 121025932
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025966
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121025946

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide (CID 121025718) is 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c(C)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ZJZFAWOZQMPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-7-12(2)16(13(3)8-11)21-17(23)15-9-20-19(25)22(18(15)24)10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,20,25)(H,21,23).
What are the key properties of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).