6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione

C18H23N5O4 — CID 135822372

IUPAC6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C(C)=N/N3CCN(C)CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H23N5O4/c1-12(20-22-10-8-21(2)9-11-22)15-16(24)19-18(26)23(17(15)25)13-4-6-14(27-3)7-5-13/h4-7,25H,8-11H2,1-3H3,(H,19,24,26)/b20-12+
InChIKeyIQZJQPDXKLBABT-UDWIEESQSA-N
MW373.41 g/mol
LogP0.21
Rot. Bonds4

About 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione

6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 135822372) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID135822372
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C(C)=N/N3CCN(C)CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H23N5O4/c1-12(20-22-10-8-21(2)9-11-22)15-16(24)19-18(26)23(17(15)25)13-4-6-14(27-3)7-5-13/h4-7,25H,8-11H2,1-3H3,(H,19,24,26)/b20-12+
InChIKeyIQZJQPDXKLBABT-UDWIEESQSA-N
XLogP0.21
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione (CID 135822372) is 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C(C)=N/N3CCN(C)CC3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is IQZJQPDXKLBABT-UDWIEESQSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12(20-22-10-8-21(2)9-11-22)15-16(24)19-18(26)23(17(15)25)13-4-6-14(27-3)7-5-13/h4-7,25H,8-11H2,1-3H3,(H,19,24,26)/b20-12+.
What are the key properties of 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135822372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).