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

C18H17N3O4 — CID 3451720

IUPAC5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-11-5-7-13(8-6-11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-14-4-3-9-25-14/h3-9,23H,10H2,1-2H3,(H,20,22,24)/b19-12+
InChIKeyKVTPVVNZQKEXJR-XDHOZWIPSA-N
MW339.35 g/mol
LogP2.14
Rot. Bonds4

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

5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3451720) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID3451720
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-11-5-7-13(8-6-11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-14-4-3-9-25-14/h3-9,23H,10H2,1-2H3,(H,20,22,24)/b19-12+
InChIKeyKVTPVVNZQKEXJR-XDHOZWIPSA-N
XLogP2.14
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.14
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)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1911770
(5E)-1-(3,4-dimethylphenyl)-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1984078
(Z)-5-(1-((furan-2-ylmethyl)amino)ethylidene)-1-(o-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3831941
2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
CID 4648501
(5E)-5-[4-(diethylamino)benzylidene]-1-(2-furylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1515549
(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
5-(4-Dimethylamino-benzylidene)-1-furan-2-ylmethyl-pyrimidine-2,4,6-trione
CID 719673
(5Z)-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 931913
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
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 1515550

Frequently Asked Questions

What is the IUPAC name of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 3451720) is 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione is C/C(=N\Cc1ccco1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is KVTPVVNZQKEXJR-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-5-7-13(8-6-11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-14-4-3-9-25-14/h3-9,23H,10H2,1-2H3,(H,20,22,24)/b19-12+.
What are the key properties of 5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 2.14, 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-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3451720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).