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

C13H13N3O4 — CID 1375948

IUPAC6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-16-12(18)10(11(17)15-13(16)19)7-14-8-3-5-9(20-2)6-4-8/h3-7,18H,1-2H3,(H,15,17,19)/b14-7+
InChIKeyKFCOWJKCLYKGHK-VGOFMYFVSA-N
MW275.26 g/mol
LogP0.54
Rot. Bonds3

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

6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 1375948) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione
PubChem CID1375948
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-16-12(18)10(11(17)15-13(16)19)7-14-8-3-5-9(20-2)6-4-8/h3-7,18H,1-2H3,(H,15,17,19)/b14-7+
InChIKeyKFCOWJKCLYKGHK-VGOFMYFVSA-N
XLogP0.54
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.54
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

CID 2288258
CID 2288258
CID 2870753
CID 2870753
CID 3480949
CID 3480949
CID 608339
CID 608339
CID 659890
CID 659890
CID 1375940
CID 1375940
CID 1396359
CID 1396359
CID 1967791
CID 1967791
CID 2244543
CID 2244543
CID 3717926
CID 3717926
CID 3784460
CID 3784460
CID 3821583
CID 3821583

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione (CID 1375948) is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is KFCOWJKCLYKGHK-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-16-12(18)10(11(17)15-13(16)19)7-14-8-3-5-9(20-2)6-4-8/h3-7,18H,1-2H3,(H,15,17,19)/b14-7+.
What are the key properties of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 275.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 1375948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).