6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C18H13Cl2FN4O — CID 112849859

IUPAC6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)ccc2Cl)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-14-5-3-2-4-13(14)21)9-17(23-10)24-15-8-11(19)6-7-12(15)20/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyHUTSCXXMIFHHEK-UHFFFAOYSA-N
MW391.23 g/mol
LogP5.23
Rot. Bonds4

About 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849859) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849859
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(Cl)ccc2Cl)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-14-5-3-2-4-13(14)21)9-17(23-10)24-15-8-11(19)6-7-12(15)20/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyHUTSCXXMIFHHEK-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-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849859) is 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cc(Cl)ccc2Cl)cc(C(=O)Nc2ccccc2F)n1.
What is the InChIKey of 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HUTSCXXMIFHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c1-10-22-16(18(26)25-14-5-3-2-4-13(14)21)9-17(23-10)24-15-8-11(19)6-7-12(15)20/h2-9H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-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 6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).