2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

C21H20F2N4O — CID 109268166

IUPAC2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C21H20F2N4O/c1-12(2)15-7-4-6-13(3)18(15)26-20(28)14-10-24-21(25-11-14)27-19-16(22)8-5-9-17(19)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyDWCWVMMZZUZUOB-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.18
Rot. Bonds5

About 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109268166) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109268166
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C21H20F2N4O/c1-12(2)15-7-4-6-13(3)18(15)26-20(28)14-10-24-21(25-11-14)27-19-16(22)8-5-9-17(19)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyDWCWVMMZZUZUOB-UHFFFAOYSA-N
XLogP5.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268147
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268174
N-[(2-fluorophenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256940
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268195
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109268166) is 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)nc1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DWCWVMMZZUZUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-12(2)15-7-4-6-13(3)18(15)26-20(28)14-10-24-21(25-11-14)27-19-16(22)8-5-9-17(19)23/h4-12H,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 5.18, 5 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-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).