1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione

C19H16ClN3O4 — CID 2844600

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C/N=C/c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-27-15-8-2-12(3-9-15)10-21-11-16-17(24)22-19(26)23(18(16)25)14-6-4-13(20)5-7-14/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyKTGFZPVENUPQOO-SRZZPIQSSA-N
MW385.81 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione (PubChem CID 2844600) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
PubChem CID2844600
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C/N=C/c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-27-15-8-2-12(3-9-15)10-21-11-16-17(24)22-19(26)23(18(16)25)14-6-4-13(20)5-7-14/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyKTGFZPVENUPQOO-SRZZPIQSSA-N
XLogP2.51
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione (CID 2844600) is 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione is COc1ccc(C/N=C/c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione?
The InChIKey is KTGFZPVENUPQOO-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-27-15-8-2-12(3-9-15)10-21-11-16-17(24)22-19(26)23(18(16)25)14-6-4-13(20)5-7-14/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione has a molecular weight of 385.81 g/mol, XLogP of 2.51, 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-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2844600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).