2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

C22H24N4O — CID 16747547

IUPAC2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCCc1nc(N/N=C(/C)c2ccc(C)cc2)cc(-c2ccccc2OC)n1
InChIInChI=1S/C22H24N4O/c1-5-21-23-19(18-8-6-7-9-20(18)27-4)14-22(24-21)26-25-16(3)17-12-10-15(2)11-13-17/h6-14H,5H2,1-4H3,(H,23,24,26)/b25-16-
InChIKeyRKJYKWBCMIBYBG-XYGWBWBKSA-N
MW360.46 g/mol
LogP4.86
Rot. Bonds6

About 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine

2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (PubChem CID 16747547) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
PubChem CID16747547
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESCCc1nc(N/N=C(/C)c2ccc(C)cc2)cc(-c2ccccc2OC)n1
InChIInChI=1S/C22H24N4O/c1-5-21-23-19(18-8-6-7-9-20(18)27-4)14-22(24-21)26-25-16(3)17-12-10-15(2)11-13-17/h6-14H,5H2,1-4H3,(H,23,24,26)/b25-16-
InChIKeyRKJYKWBCMIBYBG-XYGWBWBKSA-N
XLogP4.86
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.86
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-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846647
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846648
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 73320052
N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 146337191
8-methoxy-3-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7573717
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
6-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 69127762
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (CID 16747547) is 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is CCc1nc(N/N=C(/C)c2ccc(C)cc2)cc(-c2ccccc2OC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The InChIKey is RKJYKWBCMIBYBG-XYGWBWBKSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-21-23-19(18-8-6-7-9-20(18)27-4)14-22(24-21)26-25-16(3)17-12-10-15(2)11-13-17/h6-14H,5H2,1-4H3,(H,23,24,26)/b25-16-.
What are the key properties of 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 16747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).