N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide

C17H10Cl2F2N4O — CID 109270657

IUPACN-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-3-1-6-13(14(10)19)24-16(26)9-7-22-17(23-8-9)25-15-11(20)4-2-5-12(15)21/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyDTWDJRSNEXUTEI-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109270657) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
PubChem CID109270657
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-3-1-6-13(14(10)19)24-16(26)9-7-22-17(23-8-9)25-15-11(20)4-2-5-12(15)21/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyDTWDJRSNEXUTEI-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
methyl 2-[[2-(2,6-difluoroanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270200
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide (CID 109270657) is N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2c(F)cccc2F)nc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is DTWDJRSNEXUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-10-3-1-6-13(14(10)19)24-16(26)9-7-22-17(23-8-9)25-15-11(20)4-2-5-12(15)21/h1-8H,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).