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

C20H20N4 — CID 5332898

IUPAC6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
SMILESC/C(=N\Nc1cc(C)nc(-c2ccccc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H20N4/c1-14-9-11-17(12-10-14)16(3)23-24-19-13-15(2)21-20(22-19)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,24)/b23-16+
InChIKeyKQHXLSNEYGETLI-XQNSMLJCSA-N
MW316.41 g/mol
LogP4.60
Rot. Bonds4

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

6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine (PubChem CID 5332898) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
PubChem CID5332898
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
SMILESC/C(=N\Nc1cc(C)nc(-c2ccccc2)n1)c1ccc(C)cc1
InChIInChI=1S/C20H20N4/c1-14-9-11-17(12-10-14)16(3)23-24-19-13-15(2)21-20(22-19)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,24)/b23-16+
InChIKeyKQHXLSNEYGETLI-XQNSMLJCSA-N
XLogP4.60
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.60
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-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]-2-phenylpyrimidine-4,6-diamine
CID 139976484
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
4-[N-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]amino]-C-methylcarbonimidoyl]-2-methylphenol
CID 3091873
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
2-(4-bromophenyl)-6-methyl-N-[1-(3-nitrophenyl)ethylideneamino]pyrimidin-4-amine
CID 3106966
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
CID 3099348
2-N-benzyl-4-N-[1-(4-iodophenyl)ethylideneamino]-6-methylpyrimidine-2,4-diamine
CID 3827063

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine (CID 5332898) is 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine is C/C(=N\Nc1cc(C)nc(-c2ccccc2)n1)c1ccc(C)cc1.
What is the InChIKey of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine?
The InChIKey is KQHXLSNEYGETLI-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H20N4/c1-14-9-11-17(12-10-14)16(3)23-24-19-13-15(2)21-20(22-19)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,22,24)/b23-16+.
What are the key properties of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine?
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 5332898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).