2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C20H18F2N4O — CID 109335897

IUPAC2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O/c1-11-7-8-14(9-12(11)2)24-19(27)17-10-13(3)23-20(25-17)26-18-15(21)5-4-6-16(18)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPIMDAYDHPQWXPW-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.68
Rot. Bonds4

About 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335897) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335897
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O/c1-11-7-8-14(9-12(11)2)24-19(27)17-10-13(3)23-20(25-17)26-18-15(21)5-4-6-16(18)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPIMDAYDHPQWXPW-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335897) is 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(C)c2)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PIMDAYDHPQWXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-7-8-14(9-12(11)2)24-19(27)17-10-13(3)23-20(25-17)26-18-15(21)5-4-6-16(18)22/h4-10H,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).