5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C20H23N3O3 — CID 3800323

IUPAC5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCC1=CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h3,6-8,10-11,25H,2,4-5,9,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyOMHYDYLKPWQCAL-KGENOOAVSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds5

About 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 3800323) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID3800323
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCC1=CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h3,6-8,10-11,25H,2,4-5,9,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyOMHYDYLKPWQCAL-KGENOOAVSA-N
XLogP2.93
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)phenyl)acetamide
CID 937012
5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
(5E)-5-[1-[4-(dimethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 4529300
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(E)-1-allyl-5-(1-((4-(dimethylamino)phenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1405560
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
(5E)-5-[1-(oxolan-2-ylmethylamino)propylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 3250649

Frequently Asked Questions

What is the IUPAC name of 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 3800323) is 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is C/C(=N\CCC1=CCCCC1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is OMHYDYLKPWQCAL-KGENOOAVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h3,6-8,10-11,25H,2,4-5,9,12-13H2,1H3,(H,22,24,26)/b21-14+.
What are the key properties of 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[2-(cyclohexen-1-yl)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 3800323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).