2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109313797

IUPAC2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H14F2N4O/c1-11-5-2-3-8-14(11)22-17(25)15-9-10-21-18(23-15)24-16-12(19)6-4-7-13(16)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyZKFSFEPEXLTILZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

About 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide

2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313797) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313797
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H14F2N4O/c1-11-5-2-3-8-14(11)22-17(25)15-9-10-21-18(23-15)24-16-12(19)6-4-7-13(16)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyZKFSFEPEXLTILZ-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109296690
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109313797) is 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZKFSFEPEXLTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-5-2-3-8-14(11)22-17(25)15-9-10-21-18(23-15)24-16-12(19)6-4-7-13(16)20/h2-10H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 4.06, 4 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-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).