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

C18H14ClFN4O — CID 112849931

IUPAC6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H14ClFN4O/c1-11-21-16(18(25)24-15-8-4-13(20)5-9-15)10-17(22-11)23-14-6-2-12(19)3-7-14/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyAMIZOZJMHVLALI-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

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

6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849931) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849931
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H14ClFN4O/c1-11-21-16(18(25)24-15-8-4-13(20)5-9-15)10-17(22-11)23-14-6-2-12(19)3-7-14/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyAMIZOZJMHVLALI-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112849915
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849965
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849931) is 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AMIZOZJMHVLALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-21-16(18(25)24-15-8-4-13(20)5-9-15)10-17(22-11)23-14-6-2-12(19)3-7-14/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).