N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide

C19H13F2N5O — CID 112851206

IUPACN-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13F2N5O/c1-11-23-17(19(27)26-13-4-2-12(10-22)3-5-13)9-18(24-11)25-14-6-7-15(20)16(21)8-14/h2-9H,1H3,(H,26,27)(H,23,24,25)
InChIKeyQCZNYACKJAKJIO-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.93
Rot. Bonds4

About N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112851206) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112851206
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC NameN-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13F2N5O/c1-11-23-17(19(27)26-13-4-2-12(10-22)3-5-13)9-18(24-11)25-14-6-7-15(20)16(21)8-14/h2-9H,1H3,(H,26,27)(H,23,24,25)
InChIKeyQCZNYACKJAKJIO-UHFFFAOYSA-N
XLogP3.93
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
6-(3,4-difluoroanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849232
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850402
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 112851206) is N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QCZNYACKJAKJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c1-11-23-17(19(27)26-13-4-2-12(10-22)3-5-13)9-18(24-11)25-14-6-7-15(20)16(21)8-14/h2-9H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).