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

C17H21N3O4 — CID 662971

IUPAC1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O4/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/h5,8-9,12,22H,2-4,6-7,10H2,1H3,(H,19,21,23)/b18-11+
InChIKeyGABXNQNBWWSLOD-WOJGMQOQSA-N
MW331.37 g/mol
LogP2.35
Rot. Bonds4

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

1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 662971) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID662971
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccco1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O4/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/h5,8-9,12,22H,2-4,6-7,10H2,1H3,(H,19,21,23)/b18-11+
InChIKeyGABXNQNBWWSLOD-WOJGMQOQSA-N
XLogP2.35
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-({[3-(dimethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1602851
(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-benzyl-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 663325
(5Z)-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 931913
(5Z)-3-(furan-2-ylmethyl)-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1600349
5-{[(2-Furylmethyl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2258004
(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
1-Furan-2-ylmethyl-5-[1-(2-piperazin-1-yl-ethylamino)-meth-(E)-ylidene]-pyrimidine-2,4,6-trione
CID 1903451
(5Z)-5-{1-[(furan-2-ylmethyl)amino]propylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3469751

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 662971) is 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is C/C(=N\Cc1ccco1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GABXNQNBWWSLOD-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H21N3O4/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/h5,8-9,12,22H,2-4,6-7,10H2,1H3,(H,19,21,23)/b18-11+.
What are the key properties of 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 331.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 662971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).