2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile

C20H19N5O — CID 112880366

IUPAC2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESCOCCNc1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-26-12-11-22-18-13-19(23-17-10-6-5-9-16(17)14-21)25-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25)
InChIKeyOFPNGDZUIPMIRY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.82
Rot. Bonds7

About 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile

2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112880366) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112880366
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESCOCCNc1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-26-12-11-22-18-13-19(23-17-10-6-5-9-16(17)14-21)25-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25)
InChIKeyOFPNGDZUIPMIRY-UHFFFAOYSA-N
XLogP3.82
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881662
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112911497
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
2-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112879414
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112943470
N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112880342
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (CID 112880366) is 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is COCCNc1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is OFPNGDZUIPMIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-12-11-22-18-13-19(23-17-10-6-5-9-16(17)14-21)25-20(24-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112880366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).