N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

C20H20N4O — CID 5332849

IUPACN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-13-19(17-7-5-4-6-8-17)22-20(21-14)24-23-15(2)16-9-11-18(25-3)12-10-16/h4-13H,1-3H3,(H,21,22,24)/b23-15+
InChIKeyPRLFTRPRRKDIAZ-HZHRSRAPSA-N
MW332.41 g/mol
LogP4.30
Rot. Bonds5

About N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 5332849) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID5332849
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-13-19(17-7-5-4-6-8-17)22-20(21-14)24-23-15(2)16-9-11-18(25-3)12-10-16/h4-13H,1-3H3,(H,21,22,24)/b23-15+
InChIKeyPRLFTRPRRKDIAZ-HZHRSRAPSA-N
XLogP4.30
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.30
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)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (CID 5332849) is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is COc1ccc(/C(C)=N/Nc2nc(C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is PRLFTRPRRKDIAZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-13-19(17-7-5-4-6-8-17)22-20(21-14)24-23-15(2)16-9-11-18(25-3)12-10-16/h4-13H,1-3H3,(H,21,22,24)/b23-15+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 5332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).