4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine

C21H15FN4O — CID 5338293

IUPAC4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2cc(-c3ccccc3)nc(N/N=C\c3ccco3)n2)cc1
InChIInChI=1S/C21H15FN4O/c22-17-10-8-16(9-11-17)20-13-19(15-5-2-1-3-6-15)24-21(25-20)26-23-14-18-7-4-12-27-18/h1-14H,(H,24,25,26)/b23-14-
InChIKeyVXJXGVMQJMQCHJ-UCQKPKSFSA-N
MW358.38 g/mol
LogP4.99
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine

4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine (PubChem CID 5338293) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine
PubChem CID5338293
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2cc(-c3ccccc3)nc(N/N=C\c3ccco3)n2)cc1
InChIInChI=1S/C21H15FN4O/c22-17-10-8-16(9-11-17)20-13-19(15-5-2-1-3-6-15)24-21(25-20)26-23-14-18-7-4-12-27-18/h1-14H,(H,24,25,26)/b23-14-
InChIKeyVXJXGVMQJMQCHJ-UCQKPKSFSA-N
XLogP4.99
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.99
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

2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-4,6-dimethylfuro[2,3-d]pyrimidine
CID 9629504
1-(2-Furyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 9705263
1-(5-Methyl-2-furyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 9646770
4,6-dimethyl-N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]pyrimidin-2-amine
CID 9606627
N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3133620
N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 5332854
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4,6-dimethylpyrimidine
CID 5757828
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6906478
4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine
CID 2985892
N-(furan-2-ylmethyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 3519860
N-[(Z)-1-(furan-2-yl)ethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6409934
N-[(E)-furan-2-ylmethylideneamino]-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 162658290

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine (CID 5338293) is 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine is Fc1ccc(-c2cc(-c3ccccc3)nc(N/N=C\c3ccco3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine?
The InChIKey is VXJXGVMQJMQCHJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-17-10-8-16(9-11-17)20-13-19(15-5-2-1-3-6-15)24-21(25-20)26-23-14-18-7-4-12-27-18/h1-14H,(H,24,25,26)/b23-14-.
What are the key properties of 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine?
4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine has a molecular weight of 358.38 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 5338293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).