6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

C12H11N3O3 — CID 71382029

IUPAC6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C=Nc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)7-13-10-6-11(16)15-12(17)14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyORNDBAHEMPJXOM-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.82
Rot. Bonds3

About 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (PubChem CID 71382029) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
PubChem CID71382029
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C=Nc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)7-13-10-6-11(16)15-12(17)14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyORNDBAHEMPJXOM-UHFFFAOYSA-N
XLogP0.82
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
CID 10798180
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258
4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
CID 139236981

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (CID 71382029) is 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is COc1ccc(C=Nc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The InChIKey is ORNDBAHEMPJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)7-13-10-6-11(16)15-12(17)14-10/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione has a molecular weight of 245.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71382029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).