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

C14H16N4O — CID 6866645

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1/C=N/Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H16N4O/c1-10-8-11(2)17-14(16-10)18-15-9-12-6-4-5-7-13(12)19-3/h4-9H,1-3H3,(H,16,17,18)/b15-9+
InChIKeyGKDHRFWCXSIDAH-OQLLNIDSSA-N
MW256.31 g/mol
LogP2.55
Rot. Bonds4

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

N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6866645) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6866645
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1/C=N/Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H16N4O/c1-10-8-11(2)17-14(16-10)18-15-9-12-6-4-5-7-13(12)19-3/h4-9H,1-3H3,(H,16,17,18)/b15-9+
InChIKeyGKDHRFWCXSIDAH-OQLLNIDSSA-N
XLogP2.55
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 6866645) is N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is COc1ccccc1/C=N/Nc1nc(C)cc(C)n1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GKDHRFWCXSIDAH-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-8-11(2)17-14(16-10)18-15-9-12-6-4-5-7-13(12)19-3/h4-9H,1-3H3,(H,16,17,18)/b15-9+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6866645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).