1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

C19H24N4O3 — CID 135715871

IUPAC1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-13-8-6-7-11-16(13)22-20-12-15-17(24)21-19(26)23(18(15)25)14-9-4-2-3-5-10-14/h6-8,11-12,14,22,25H,2-5,9-10H2,1H3,(H,21,24,26)/b20-12+
InChIKeyZWJMNYYVHRBTIL-UDWIEESQSA-N
MW356.43 g/mol
LogP2.89
Rot. Bonds4

About 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (PubChem CID 135715871) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
PubChem CID135715871
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-13-8-6-7-11-16(13)22-20-12-15-17(24)21-19(26)23(18(15)25)14-9-4-2-3-5-10-14/h6-8,11-12,14,22,25H,2-5,9-10H2,1H3,(H,21,24,26)/b20-12+
InChIKeyZWJMNYYVHRBTIL-UDWIEESQSA-N
XLogP2.89
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
CID 4254295
6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 136704981
1-cyclopropyl-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135420790
1-[(1-cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-3-phenylthiourea
CID 4551023
6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 137070210
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylurea
CID 3593686
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3703478
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 135450512
3-hydroxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]-2-pyridin-2-ylisoquinolin-1-one
CID 135709153
1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17168589

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (CID 135715871) is 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is Cc1ccccc1N/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The InChIKey is ZWJMNYYVHRBTIL-UDWIEESQSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-8-6-7-11-16(13)22-20-12-15-17(24)21-19(26)23(18(15)25)14-9-4-2-3-5-10-14/h6-8,11-12,14,22,25H,2-5,9-10H2,1H3,(H,21,24,26)/b20-12+.
What are the key properties of 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135715871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).