1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

C18H14ClN3O4 — CID 2844628

IUPAC1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1/N=C/c1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14ClN3O4/c1-26-15-8-3-2-7-14(15)20-10-13-16(23)21-18(25)22(17(13)24)12-6-4-5-11(19)9-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyUDNMLMVKMYDMHR-KEBDBYFISA-N
MW371.78 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 2844628) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID2844628
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccccc1/N=C/c1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14ClN3O4/c1-26-15-8-3-2-7-14(15)20-10-13-16(23)21-18(25)22(17(13)24)12-6-4-5-11(19)9-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyUDNMLMVKMYDMHR-KEBDBYFISA-N
XLogP2.64
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.64
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-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (CID 2844628) is 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is COc1ccccc1/N=C/c1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is UDNMLMVKMYDMHR-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-26-15-8-3-2-7-14(15)20-10-13-16(23)21-18(25)22(17(13)24)12-6-4-5-11(19)9-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+.
What are the key properties of 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 371.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2844628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).