5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C17H15N3O4 — CID 931913

IUPAC5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H15N3O4/c1-11(18-10-13-8-5-9-24-13)14-15(21)19-17(23)20(16(14)22)12-6-3-2-4-7-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-11+
InChIKeyYHIGAEZICONZAD-WOJGMQOQSA-N
MW325.32 g/mol
LogP1.83
Rot. Bonds4

About 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 931913) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID931913
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H15N3O4/c1-11(18-10-13-8-5-9-24-13)14-15(21)19-17(23)20(16(14)22)12-6-3-2-4-7-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-11+
InChIKeyYHIGAEZICONZAD-WOJGMQOQSA-N
XLogP1.83
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-1-(3,4-dimethylphenyl)-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1984078
(5Z)-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3451720
(Z)-5-(1-((furan-2-ylmethyl)amino)ethylidene)-1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3831941
5-(1-((furan-2-ylmethyl)amino)ethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 662390
(5Z)-3-cyclohexyl-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 662971
(5Z)-3-benzyl-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 663325
N-[4-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
CID 1383385
(5E)-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 1388164
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1916528
(5E)-3-(4-chlorophenyl)-5-{1-[(furan-2-ylmethyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3727104
(5E)-5-{1-[(furan-2-ylmethyl)amino]propylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3761385
(5E)-3-benzyl-5-{1-[(furan-2-ylmethyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3794810

Frequently Asked Questions

What is the IUPAC name of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 931913) is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is C/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is YHIGAEZICONZAD-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11(18-10-13-8-5-9-24-13)14-15(21)19-17(23)20(16(14)22)12-6-3-2-4-7-12/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-11+.
What are the key properties of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 931913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).