2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C21H20F2N4O2 — CID 109337718

IUPAC2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(C)C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C21H20F2N4O2/c1-12(2)29-19-7-5-4-6-17(19)25-20(28)18-10-13(3)24-21(27-18)26-16-9-8-14(22)11-15(16)23/h4-12H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyYKLWZGNICHMMSP-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.85
Rot. Bonds6

About 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109337718) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109337718
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(C)C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C21H20F2N4O2/c1-12(2)29-19-7-5-4-6-17(19)25-20(28)18-10-13(3)24-21(27-18)26-16-9-8-14(22)11-15(16)23/h4-12H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyYKLWZGNICHMMSP-UHFFFAOYSA-N
XLogP4.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
N-(2-tert-butylphenyl)-2-(2,4-difluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336685
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(2,4-difluorophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336207
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335795
2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338103

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109337718) is 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2OC(C)C)nc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is YKLWZGNICHMMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-12(2)29-19-7-5-4-6-17(19)25-20(28)18-10-13(3)24-21(27-18)26-16-9-8-14(22)11-15(16)23/h4-12H,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109337718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).