6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide

C22H21N5O — CID 112854264

IUPAC6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5O/c1-3-27(4-2)22(28)19-14-20(24-18-13-9-8-12-17(18)15-23)26-21(25-19)16-10-6-5-7-11-16/h5-14H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyHYRLYMXRXYZQCJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.24
Rot. Bonds6

About 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854264) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112854264
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5O/c1-3-27(4-2)22(28)19-14-20(24-18-13-9-8-12-17(18)15-23)26-21(25-19)16-10-6-5-7-11-16/h5-14H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyHYRLYMXRXYZQCJ-UHFFFAOYSA-N
XLogP4.24
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847628
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
2-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112879414
2-[[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881662
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712
6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112851758

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide (CID 112854264) is 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HYRLYMXRXYZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-27(4-2)22(28)19-14-20(24-18-13-9-8-12-17(18)15-23)26-21(25-19)16-10-6-5-7-11-16/h5-14H,3-4H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).