6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

C14H16N4O3 — CID 11033526

IUPAC6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(/C=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-17-12(15)11(13(19)18(2)14(17)20)16-8-9-4-6-10(21-3)7-5-9/h4-8H,15H2,1-3H3/b16-8+
InChIKeyPZZNVGKIFGQWLR-LZYBPNLTSA-N
MW288.31 g/mol
LogP0.43
Rot. Bonds3

About 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 11033526) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID11033526
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(/C=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-17-12(15)11(13(19)18(2)14(17)20)16-8-9-4-6-10(21-3)7-5-9/h4-8H,15H2,1-3H3/b16-8+
InChIKeyPZZNVGKIFGQWLR-LZYBPNLTSA-N
XLogP0.43
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione
CID 46188301
5-bromo-6-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylbenzimidazol-2-one
CID 50885037
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135837405
6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 92534250
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 71382029
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4783672
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one
CID 5359152

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione (CID 11033526) is 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(/C=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PZZNVGKIFGQWLR-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-12(15)11(13(19)18(2)14(17)20)16-8-9-4-6-10(21-3)7-5-9/h4-8H,15H2,1-3H3/b16-8+.
What are the key properties of 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 11033526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).