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

C20H19FN4 — CID 59846647

IUPAC6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESC/C(=N\Nc1cc(-c2ccccc2F)nc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C20H19FN4/c1-13-8-10-16(11-9-13)14(2)24-25-20-12-19(22-15(3)23-20)17-6-4-5-7-18(17)21/h4-12H,1-3H3,(H,22,23,25)/b24-14+
InChIKeyXCMHIRILCLNUKG-ZVHZXABRSA-N
MW334.40 g/mol
LogP4.74
Rot. Bonds4

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

6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (PubChem CID 59846647) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
PubChem CID59846647
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
SMILESC/C(=N\Nc1cc(-c2ccccc2F)nc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C20H19FN4/c1-13-8-10-16(11-9-13)14(2)24-25-20-12-19(22-15(3)23-20)17-6-4-5-7-18(17)21/h4-12H,1-3H3,(H,22,23,25)/b24-14+
InChIKeyXCMHIRILCLNUKG-ZVHZXABRSA-N
XLogP4.74
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.74
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

6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 73320052
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846648
2-ethyl-6-(2-methoxyphenyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747547
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
CID 2842007
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
[4-[C-methyl-N-[(2-methyl-6-phenylpyrimidin-4-yl)amino]carbonimidoyl]phenyl]thiourea
CID 72577517
N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 4253034
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine (CID 59846647) is 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is C/C(=N\Nc1cc(-c2ccccc2F)nc(C)n1)c1ccc(C)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
The InChIKey is XCMHIRILCLNUKG-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H19FN4/c1-13-8-10-16(11-9-13)14(2)24-25-20-12-19(22-15(3)23-20)17-6-4-5-7-18(17)21/h4-12H,1-3H3,(H,22,23,25)/b24-14+.
What are the key properties of 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine?
6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine has a molecular weight of 334.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 59846647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).