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

C18H15FN4O — CID 109314014

IUPACN-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-2-6-15(7-3-12)22-18-20-11-10-16(23-18)17(24)21-14-8-4-13(19)5-9-14/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyMCUMYQXMKPFUMX-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

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

N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109314014) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109314014
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-2-6-15(7-3-12)22-18-20-11-10-16(23-18)17(24)21-14-8-4-13(19)5-9-14/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyMCUMYQXMKPFUMX-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316170
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
2-(1,3-benzodioxol-5-ylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109316677
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide (CID 109314014) is N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is MCUMYQXMKPFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-2-6-15(7-3-12)22-18-20-11-10-16(23-18)17(24)21-14-8-4-13(19)5-9-14/h2-11H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).