N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C19H16F2N4O2 — CID 109337577

IUPACN-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C19H16F2N4O2/c1-11-10-16(18(26)25-17-14(20)4-3-5-15(17)21)24-19(22-11)23-12-6-8-13(27-2)9-7-12/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyPYHFRQKZXKCBOC-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.07
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337577) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337577
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C19H16F2N4O2/c1-11-10-16(18(26)25-17-14(20)4-3-5-15(17)21)24-19(22-11)23-12-6-8-13(27-2)9-7-12/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyPYHFRQKZXKCBOC-UHFFFAOYSA-N
XLogP4.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335897
6-N-(2,6-difluorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100970
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337577) is N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3c(F)cccc3F)n2)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PYHFRQKZXKCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11-10-16(18(26)25-17-14(20)4-3-5-15(17)21)24-19(22-11)23-12-6-8-13(27-2)9-7-12/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).