5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione

C12H10ClN3O3 — CID 1375911

IUPAC5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O3/c1-16-11(18)9(10(17)15-12(16)19)6-14-8-4-2-7(13)3-5-8/h2-6,18H,1H3,(H,15,17,19)/b14-6+
InChIKeyIZEFWTIPJQFWNM-MKMNVTDBSA-N
MW279.68 g/mol
LogP1.18
Rot. Bonds2

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

5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 1375911) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID1375911
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O3/c1-16-11(18)9(10(17)15-12(16)19)6-14-8-4-2-7(13)3-5-8/h2-6,18H,1H3,(H,15,17,19)/b14-6+
InChIKeyIZEFWTIPJQFWNM-MKMNVTDBSA-N
XLogP1.18
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 1375911) is 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is IZEFWTIPJQFWNM-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-16-11(18)9(10(17)15-12(16)19)6-14-8-4-2-7(13)3-5-8/h2-6,18H,1H3,(H,15,17,19)/b14-6+.
What are the key properties of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 279.68 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 1375911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).