N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

C19H17FN4 — CID 5332853

IUPACN-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4/c1-13-12-18(16-6-4-3-5-7-16)22-19(21-13)24-23-14(2)15-8-10-17(20)11-9-15/h3-12H,1-2H3,(H,21,22,24)/b23-14+
InChIKeySMLCPCWGRWUNBJ-OEAKJJBVSA-N
MW320.37 g/mol
LogP4.43
Rot. Bonds4

About N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 5332853) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID5332853
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4/c1-13-12-18(16-6-4-3-5-7-16)22-19(21-13)24-23-14(2)15-8-10-17(20)11-9-15/h3-12H,1-2H3,(H,21,22,24)/b23-14+
InChIKeySMLCPCWGRWUNBJ-OEAKJJBVSA-N
XLogP4.43
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
1-(6-Fluoro-4-phenylquinazolin-2-yl)guanidine
CID 2960739
Ferimzone
CID 9013425
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (CID 5332853) is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is SMLCPCWGRWUNBJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C19H17FN4/c1-13-12-18(16-6-4-3-5-7-16)22-19(21-13)24-23-14(2)15-8-10-17(20)11-9-15/h3-12H,1-2H3,(H,21,22,24)/b23-14+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 320.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 5332853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).