N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide

C19H17FN4O — CID 112848349

IUPACN-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C19H17FN4O/c1-12-7-9-14(10-8-12)23-18-11-17(21-13(2)22-18)19(25)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyXTPNUAKGEYNRJH-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.23
Rot. Bonds4

About N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide

N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112848349) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID112848349
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C19H17FN4O/c1-12-7-9-14(10-8-12)23-18-11-17(21-13(2)22-18)19(25)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyXTPNUAKGEYNRJH-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
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
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112849915
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 112848349) is N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccccc3F)nc(C)n2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is XTPNUAKGEYNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-7-9-14(10-8-12)23-18-11-17(21-13(2)22-18)19(25)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).