N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide

C18H13Cl2FN4O — CID 112849915

IUPACN-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-15-7-2-11(19)8-14(15)20)9-17(23-10)24-13-5-3-12(21)4-6-13/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyOULZZEUCOCPYMX-UHFFFAOYSA-N
MW391.23 g/mol
LogP5.23
Rot. Bonds4

About N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide

N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849915) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849915
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC NameN-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-15-7-2-11(19)8-14(15)20)9-17(23-10)24-13-5-3-12(21)4-6-13/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyOULZZEUCOCPYMX-UHFFFAOYSA-N
XLogP5.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 112849915) is N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is OULZZEUCOCPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-15-7-2-11(19)8-14(15)20)9-17(23-10)24-13-5-3-12(21)4-6-13/h2-9H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).