1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

C19H23ClN4O3 — CID 4921749

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23ClN4O3/c1-13(21-9-12-23-10-3-2-4-11-23)16-17(25)22-19(27)24(18(16)26)15-7-5-14(20)6-8-15/h5-8,26H,2-4,9-12H2,1H3,(H,22,25,27)/b21-13+
InChIKeyHRGAGECEYPTMTM-FYJGNVAPSA-N
MW390.87 g/mol
LogP2.18
Rot. Bonds5

About 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 4921749) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID4921749
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23ClN4O3/c1-13(21-9-12-23-10-3-2-4-11-23)16-17(25)22-19(27)24(18(16)26)15-7-5-14(20)6-8-15/h5-8,26H,2-4,9-12H2,1H3,(H,22,25,27)/b21-13+
InChIKeyHRGAGECEYPTMTM-FYJGNVAPSA-N
XLogP2.18
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (CID 4921749) is 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is HRGAGECEYPTMTM-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-13(21-9-12-23-10-3-2-4-11-23)16-17(25)22-19(27)24(18(16)26)15-7-5-14(20)6-8-15/h5-8,26H,2-4,9-12H2,1H3,(H,22,25,27)/b21-13+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 390.87 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4921749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).