N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine

C24H19FN4 — CID 2842311

IUPACN-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H19FN4/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)27-24(28-23)29-26-16-18-9-13-21(25)14-10-18/h2-16H,1H3,(H,27,28,29)
InChIKeyXEYZJWQHTWLEOK-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.70
Rot. Bonds5

About N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine

N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine (PubChem CID 2842311) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
PubChem CID2842311
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H19FN4/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)27-24(28-23)29-26-16-18-9-13-21(25)14-10-18/h2-16H,1H3,(H,27,28,29)
InChIKeyXEYZJWQHTWLEOK-UHFFFAOYSA-N
XLogP5.70
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.70
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

N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
CID 58065252
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine (CID 2842311) is N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine is Cc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
The InChIKey is XEYZJWQHTWLEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)27-24(28-23)29-26-16-18-9-13-21(25)14-10-18/h2-16H,1H3,(H,27,28,29).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine?
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 2842311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).