1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C24H22N4O3 — CID 135685287

IUPAC1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Nc1cccc2ccccc12)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H22N4O3/c1-2-19(26-27-20-14-8-12-17-11-6-7-13-18(17)20)21-22(29)25-24(31)28(23(21)30)15-16-9-4-3-5-10-16/h3-14,27,30H,2,15H2,1H3,(H,25,29,31)/b26-19+
InChIKeyMJFNDCKSZDVHPU-LGUFXXKBSA-N
MW414.47 g/mol
LogP3.67
Rot. Bonds6

About 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 135685287) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID135685287
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Nc1cccc2ccccc12)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H22N4O3/c1-2-19(26-27-20-14-8-12-17-11-6-7-13-18(17)20)21-22(29)25-24(31)28(23(21)30)15-16-9-4-3-5-10-16/h3-14,27,30H,2,15H2,1H3,(H,25,29,31)/b26-19+
InChIKeyMJFNDCKSZDVHPU-LGUFXXKBSA-N
XLogP3.67
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.67
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

5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 135606705
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
5-[C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3696701
1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348
6-hydroxy-5-[(E)-C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 135535942
6-hydroxy-5-[C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 1400188
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 135420761
1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935
1-benzyl-5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 136916298
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 747588
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 135685287) is 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\Nc1cccc2ccccc12)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MJFNDCKSZDVHPU-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-19(26-27-20-14-8-12-17-11-6-7-13-18(17)20)21-22(29)25-24(31)28(23(21)30)15-16-9-4-3-5-10-16/h3-14,27,30H,2,15H2,1H3,(H,25,29,31)/b26-19+.
What are the key properties of 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 414.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).