5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione

C15H11N3O5 — CID 25063897

IUPAC5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccco2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14-12(13-2-1-7-23-13)8-16-15(20)17(14)9-10-3-5-11(6-4-10)18(21)22/h1-8H,9H2,(H,16,20)
InChIKeyMQNLDYRRISWBEG-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.75
Rot. Bonds4

About 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione

5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 25063897) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID25063897
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccco2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14-12(13-2-1-7-23-13)8-16-15(20)17(14)9-10-3-5-11(6-4-10)18(21)22/h1-8H,9H2,(H,16,20)
InChIKeyMQNLDYRRISWBEG-UHFFFAOYSA-N
XLogP1.75
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 7659492
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405
3-(2-methoxyethyl)-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione
CID 168952922
4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
CID 39767911
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
5-iodo-6-methyl-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 10142825
2-amino-1-[(4-nitrophenyl)methyl]-7H-purin-6-one
CID 174760334
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 58122374
8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
CID 1108706

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 25063897) is 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2ccco2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MQNLDYRRISWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-14-12(13-2-1-7-23-13)8-16-15(20)17(14)9-10-3-5-11(6-4-10)18(21)22/h1-8H,9H2,(H,16,20).
What are the key properties of 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 313.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 25063897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).