1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione

C15H16ClN3O4 — CID 135628532

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
SMILESCOCCC/N=C/c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16ClN3O4/c1-23-8-2-7-17-9-12-13(20)18-15(22)19(14(12)21)11-5-3-10(16)4-6-11/h3-6,9,21H,2,7-8H2,1H3,(H,18,20,22)/b17-9+
InChIKeyMLLCGVWISXBPSQ-RQZCQDPDSA-N
MW337.76 g/mol
LogP1.34
Rot. Bonds6

About 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione (PubChem CID 135628532) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
PubChem CID135628532
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
SMILESCOCCC/N=C/c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16ClN3O4/c1-23-8-2-7-17-9-12-13(20)18-15(22)19(14(12)21)11-5-3-10(16)4-6-11/h3-6,9,21H,2,7-8H2,1H3,(H,18,20,22)/b17-9+
InChIKeyMLLCGVWISXBPSQ-RQZCQDPDSA-N
XLogP1.34
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
CID 2844600
1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
CID 3718900
1-(4-bromophenyl)-5-(hexyliminomethyl)-6-hydroxypyrimidine-2,4-dione
CID 2840781
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
1-(4-chlorophenyl)-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3736130
(3R)-3-(4-chlorophenyl)-4-[[6-hydroxy-1-(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]butanoic acid
CID 135895725
1-(4-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844616
1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 4302922
1-(4-chlorophenyl)-6-hydroxy-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyliminomethyl]pyrimidine-2,4-dione
CID 135653560
5-[3-(diethylamino)propyliminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 3258723
1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 135880342
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
CID 135607948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione (CID 135628532) is 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione is COCCC/N=C/c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is MLLCGVWISXBPSQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-23-8-2-7-17-9-12-13(20)18-15(22)19(14(12)21)11-5-3-10(16)4-6-11/h3-6,9,21H,2,7-8H2,1H3,(H,18,20,22)/b17-9+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 337.76 g/mol, XLogP of 1.34, 6 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-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135628532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).