1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione

C19H24N4O3 — CID 4254295

IUPAC1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
SMILESCC(=NNc1ccccc1C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h6-8,11,14,22,25H,3-5,9-10H2,1-2H3,(H,20,24,26)
InChIKeyYPJYABSWQUYBMJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.89
Rot. Bonds4

About 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 4254295) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID4254295
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
SMILESCC(=NNc1ccccc1C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h6-8,11,14,22,25H,3-5,9-10H2,1-2H3,(H,20,24,26)
InChIKeyYPJYABSWQUYBMJ-UHFFFAOYSA-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

6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 135679843
1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 135715871
1-cyclohexyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 937819
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylurea
CID 3593686
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
CID 135498934
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3703478
5-(N-anilino-C-methylcarbonimidoyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3722604
1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135821954
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 135450512
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 3795137

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione (CID 4254295) is 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione is CC(=NNc1ccccc1C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is YPJYABSWQUYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h6-8,11,14,22,25H,3-5,9-10H2,1-2H3,(H,20,24,26).
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]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-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).