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'}

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Related Compounds

2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135491328
(5Z)-3-(3-chlorophenyl)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 662444
(5E)-3-(4-chlorophenyl)-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1394234
3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dione
CID 4622527
6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 146025760
(E)-1-phenyl-5-(1-((2-(piperidin-1-yl)ethyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1414743
(5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}ethylidene)-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 3800323
(5Z)-3-(4-fluorophenyl)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1598812
(5E)-3-(3-chlorophenyl)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1605831
4-(2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide
CID 2863723
(5E)-5-[1-[4-(diethylamino)anilino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 1398804

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).