(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine

C22H16ClN3O — CID 177256343

IUPAC(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C22H16ClN3O/c1-15-4-6-16(7-5-15)20-13-21(17-8-10-18(23)11-9-17)26-22(25-20)24-14-19-3-2-12-27-19/h2-14H,1H3/b24-14+
InChIKeyKVFXTRBVLDZYEX-ZVHZXABRSA-N
MW373.84 g/mol
LogP6.12
Rot. Bonds4

About (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine

(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine (PubChem CID 177256343) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine
PubChem CID177256343
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C22H16ClN3O/c1-15-4-6-16(7-5-15)20-13-21(17-8-10-18(23)11-9-17)26-22(25-20)24-14-19-3-2-12-27-19/h2-14H,1H3/b24-14+
InChIKeyKVFXTRBVLDZYEX-ZVHZXABRSA-N
XLogP6.12
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233517
N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 5332854
2-(4-Chlorophenyl)-N-[(furan-2-YL)methyl]-N-methylquinazolin-4-amine
CID 20963299
4-(4-chlorophenyl)-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 2052764
N-(2-furanylmethylideneamino)-4-methyl-6-phenyl-2-pyrimidinamine
CID 2842192
2-Furaldehyde [4-(4-fluorophenyl)-6-phenyl-2-pyrimidinyl]hydrazone
CID 5338293
(z)-1-(furan-2-yl)-N-(4-(2-nitrophenyl)-6-(p-tolyl)pyrimidin-2-yl)methanimine
CID 177860979
4-(4-fluorophenyl)-N-(furan-2-ylmethylideneamino)-6-phenylpyrimidin-2-amine
CID 2837823
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine
CID 5720009
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 34315933
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 45128966
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 71952563

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine (CID 177256343) is (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine is Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C/c3ccco3)n2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine?
The InChIKey is KVFXTRBVLDZYEX-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-15-4-6-16(7-5-15)20-13-21(17-8-10-18(23)11-9-17)26-22(25-20)24-14-19-3-2-12-27-19/h2-14H,1H3/b24-14+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine?
(E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine has a molecular weight of 373.84 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 177256343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).