5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine

C19H17ClN4O2 — CID 141416558

IUPAC5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2ncc(Cl)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(14-8-10-15(25-2)11-9-14)23-24-19-21-12-17(20)18(22-19)26-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24)/b23-13+
InChIKeyIJGDDZPEQTZEJV-YDZHTSKRSA-N
MW368.82 g/mol
LogP4.77
Rot. Bonds6

About 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine

5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine (PubChem CID 141416558) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
PubChem CID141416558
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2ncc(Cl)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13(14-8-10-15(25-2)11-9-14)23-24-19-21-12-17(20)18(22-19)26-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24)/b23-13+
InChIKeyIJGDDZPEQTZEJV-YDZHTSKRSA-N
XLogP4.77
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.77
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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Related Compounds

2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-5-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 174867568
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
CID 4714117
4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 6382777
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine (CID 141416558) is 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine is COc1ccc(/C(C)=N/Nc2ncc(Cl)c(Oc3ccccc3)n2)cc1.
What is the InChIKey of 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine?
The InChIKey is IJGDDZPEQTZEJV-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13(14-8-10-15(25-2)11-9-14)23-24-19-21-12-17(20)18(22-19)26-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,24)/b23-13+.
What are the key properties of 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine?
5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine has a molecular weight of 368.82 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 141416558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).