5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C18H23N3O5 — CID 5148366

IUPAC5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N3O5/c1-6-14(15-16(22)20(2)18(24)21(3)17(15)23)19-10-11-7-12(25-4)9-13(8-11)26-5/h7-9,22H,6,10H2,1-5H3/b19-14+
InChIKeyQACYUGOIDAGMCU-XMHGGMMESA-N
MW361.40 g/mol
LogP1.21
Rot. Bonds6

About 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 5148366) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID5148366
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N3O5/c1-6-14(15-16(22)20(2)18(24)21(3)17(15)23)19-10-11-7-12(25-4)9-13(8-11)26-5/h7-9,22H,6,10H2,1-5H3/b19-14+
InChIKeyQACYUGOIDAGMCU-XMHGGMMESA-N
XLogP1.21
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 5148366) is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QACYUGOIDAGMCU-XMHGGMMESA-N. The full InChI is InChI=1S/C18H23N3O5/c1-6-14(15-16(22)20(2)18(24)21(3)17(15)23)19-10-11-7-12(25-4)9-13(8-11)26-5/h7-9,22H,6,10H2,1-5H3/b19-14+.
What are the key properties of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 5148366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).