5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

C20H26N4O3 — CID 3821585

IUPAC5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\C1CCCCC1N)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O3/c1-3-14(22-15-10-6-5-9-13(15)21)17-18(25)23-20(27)24(19(17)26)16-11-7-4-8-12(16)2/h4,7-8,11,13,15,26H,3,5-6,9-10,21H2,1-2H3,(H,23,25,27)/b22-14+
InChIKeyQMXQWLOBEXKERJ-HYARGMPZSA-N
MW370.45 g/mol
LogP2.01
Rot. Bonds4

About 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3821585) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID3821585
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\C1CCCCC1N)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O3/c1-3-14(22-15-10-6-5-9-13(15)21)17-18(25)23-20(27)24(19(17)26)16-11-7-4-8-12(16)2/h4,7-8,11,13,15,26H,3,5-6,9-10,21H2,1-2H3,(H,23,25,27)/b22-14+
InChIKeyQMXQWLOBEXKERJ-HYARGMPZSA-N
XLogP2.01
TPSA113.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 135475766
1-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]-3-phenylthiourea
CID 135606334
N-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]heptanamide
CID 3723455
6-hydroxy-1-(2-methylphenyl)-5-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]pyrimidine-2,4-dione
CID 135896413
5-[N-[2-(diethylamino)ethyl]-C-methylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3798909
5-(N-anilino-C-methylcarbonimidoyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3722604
5-[(E)-N-[2-(diethylamino)ethylamino]-C-methylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135842130
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935
4-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]benzoic acid
CID 3744281
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3725324
5-[(1-benzylpiperidin-4-yl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1415725
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylurea
CID 3593686

Frequently Asked Questions

What is the IUPAC name of 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 3821585) is 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is CC/C(=N\C1CCCCC1N)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is QMXQWLOBEXKERJ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-14(22-15-10-6-5-9-13(15)21)17-18(25)23-20(27)24(19(17)26)16-11-7-4-8-12(16)2/h4,7-8,11,13,15,26H,3,5-6,9-10,21H2,1-2H3,(H,23,25,27)/b22-14+.
What are the key properties of 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3821585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).