6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

C21H19N5O2 — CID 112853277

IUPAC6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-28-12-11-23-21(27)18-13-19(24-17-10-6-5-9-16(17)14-22)26-20(25-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyMXNPOVRWYOTXRE-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.14
Rot. Bonds7

About 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853277) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853277
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-28-12-11-23-21(27)18-13-19(24-17-10-6-5-9-16(17)14-22)26-20(25-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyMXNPOVRWYOTXRE-UHFFFAOYSA-N
XLogP3.14
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.14
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-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854264
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853384
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-(2,4-difluoroanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853397
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853277) is 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MXNPOVRWYOTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-12-11-23-21(27)18-13-19(24-17-10-6-5-9-16(17)14-22)26-20(25-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).