6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

C21H22N4O — CID 59846648

IUPAC6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(N/N=C(\C)c3ccc(C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H22N4O/c1-14-8-10-17(11-9-14)15(2)24-25-21-13-20(22-16(3)23-21)18-6-5-7-19(12-18)26-4/h5-13H,1-4H3,(H,22,23,25)/b24-15+
InChIKeyAYDBOYFWUQVMMJ-BUVRLJJBSA-N
MW346.43 g/mol
LogP4.61
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (PubChem CID 59846648) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
PubChem CID59846648
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(N/N=C(\C)c3ccc(C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H22N4O/c1-14-8-10-17(11-9-14)15(2)24-25-21-13-20(22-16(3)23-21)18-6-5-7-19(12-18)26-4/h5-13H,1-4H3,(H,22,23,25)/b24-15+
InChIKeyAYDBOYFWUQVMMJ-BUVRLJJBSA-N
XLogP4.61
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.61
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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Related Compounds

6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846647
[4-[C-methyl-N-[(2-methyl-6-phenylpyrimidin-4-yl)amino]carbonimidoyl]phenyl]thiourea
CID 72577517
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747547
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
CID 20898994
6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 73320052

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (CID 59846648) is 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is COc1cccc(-c2cc(N/N=C(\C)c3ccc(C)cc3)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The InChIKey is AYDBOYFWUQVMMJ-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-10-17(11-9-14)15(2)24-25-21-13-20(22-16(3)23-21)18-6-5-7-19(12-18)26-4/h5-13H,1-4H3,(H,22,23,25)/b24-15+.
What are the key properties of 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 59846648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).