6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C19H14FN5O — CID 112849979

IUPAC6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-16-8-4-14(20)5-9-16)10-18(23-12)24-15-6-2-13(11-21)3-7-15/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyGXIUQGPVMYXJPJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.79
Rot. Bonds4

About 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849979) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849979
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-16-8-4-14(20)5-9-16)10-18(23-12)24-15-6-2-13(11-21)3-7-15/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyGXIUQGPVMYXJPJ-UHFFFAOYSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848989
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849979) is 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GXIUQGPVMYXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-16-8-4-14(20)5-9-16)10-18(23-12)24-15-6-2-13(11-21)3-7-15/h2-10H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).