2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide

C23H25FN4O — CID 109268366

IUPAC2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C23H25FN4O/c1-14(2)17-8-7-9-18(15(3)4)21(17)28-23-25-12-16(13-26-23)22(29)27-20-11-6-5-10-19(20)24/h5-15H,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyYTRCBELHOYQRQG-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.86
Rot. Bonds6

About 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide

2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268366) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109268366
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C23H25FN4O/c1-14(2)17-8-7-9-18(15(3)4)21(17)28-23-25-12-16(13-26-23)22(29)27-20-11-6-5-10-19(20)24/h5-15H,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyYTRCBELHOYQRQG-UHFFFAOYSA-N
XLogP5.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
methyl 2-[[2-(2,6-difluoroanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270200
N-[(2-fluorophenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256940
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide (CID 109268366) is 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)Nc2ccccc2F)cn1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is YTRCBELHOYQRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-14(2)17-8-7-9-18(15(3)4)21(17)28-23-25-12-16(13-26-23)22(29)27-20-11-6-5-10-19(20)24/h5-15H,1-4H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).