N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine

C26H24N4 — CID 5338885

IUPACN-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
SMILESCCc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N4/c1-3-20-14-16-21(17-15-20)19(2)29-30-26-27-24(22-10-6-4-7-11-22)18-25(28-26)23-12-8-5-9-13-23/h4-18H,3H2,1-2H3,(H,27,28,30)/b29-19+
InChIKeyJBLRPODJMBIXKC-VUTHCHCSSA-N
MW392.51 g/mol
LogP6.21
Rot. Bonds6

About N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine

N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine (PubChem CID 5338885) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
PubChem CID5338885
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC NameN-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
SMILESCCc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N4/c1-3-20-14-16-21(17-15-20)19(2)29-30-26-27-24(22-10-6-4-7-11-22)18-25(28-26)23-12-8-5-9-13-23/h4-18H,3H2,1-2H3,(H,27,28,30)/b29-19+
InChIKeyJBLRPODJMBIXKC-VUTHCHCSSA-N
XLogP6.21
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 56.21
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

2-[2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135424200
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
CID 4714117
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol
CID 136747859
4-(4-bromophenyl)-N-[(Z)-1-(2,3,4,5,6-pentafluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 5339080
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine (CID 5338885) is N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine is CCc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine?
The InChIKey is JBLRPODJMBIXKC-VUTHCHCSSA-N. The full InChI is InChI=1S/C26H24N4/c1-3-20-14-16-21(17-15-20)19(2)29-30-26-27-24(22-10-6-4-7-11-22)18-25(28-26)23-12-8-5-9-13-23/h4-18H,3H2,1-2H3,(H,27,28,30)/b29-19+.
What are the key properties of N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine?
N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 5338885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).