N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

C15H18N4O2 — CID 5332124

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C15H18N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-5-6-13(20-3)14(8-12)21-4/h5-9H,1-4H3,(H,17,18,19)/b16-9+
InChIKeyLOPXWIWGXWCDLK-CXUHLZMHSA-N
MW286.34 g/mol
LogP2.56
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 5332124) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID5332124
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C15H18N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-5-6-13(20-3)14(8-12)21-4/h5-9H,1-4H3,(H,17,18,19)/b16-9+
InChIKeyLOPXWIWGXWCDLK-CXUHLZMHSA-N
XLogP2.56
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 5332124) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is COc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LOPXWIWGXWCDLK-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-5-6-13(20-3)14(8-12)21-4/h5-9H,1-4H3,(H,17,18,19)/b16-9+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 5332124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).