6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C22H21N5O2 — CID 112850714

IUPAC6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-20-7-5-4-6-18(20)27-22(28)19-12-21(25-15(3)24-19)26-17-10-8-16(13-23)9-11-17/h4-12,14H,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyVSOLEZMPQPPPCH-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.44
Rot. Bonds6

About 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 112850714) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID112850714
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-20-7-5-4-6-18(20)27-22(28)19-12-21(25-15(3)24-19)26-17-10-8-16(13-23)9-11-17/h4-12,14H,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyVSOLEZMPQPPPCH-UHFFFAOYSA-N
XLogP4.44
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849208
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848989
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 112850714) is 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is VSOLEZMPQPPPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)29-20-7-5-4-6-18(20)27-22(28)19-12-21(25-15(3)24-19)26-17-10-8-16(13-23)9-11-17/h4-12,14H,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112850714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).