N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide

C24H20FN5O — CID 121032203

IUPACN-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C24H20FN5O/c1-16-15-22(27-17-7-3-2-4-8-17)30-24(26-16)29-19-13-11-18(12-14-19)28-23(31)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,28,31)(H2,26,27,29,30)
InChIKeyHBGWFQFSLOCPDW-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.66
Rot. Bonds6

About N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide

N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide (PubChem CID 121032203) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
PubChem CID121032203
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C24H20FN5O/c1-16-15-22(27-17-7-3-2-4-8-17)30-24(26-16)29-19-13-11-18(12-14-19)28-23(31)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,28,31)(H2,26,27,29,30)
InChIKeyHBGWFQFSLOCPDW-UHFFFAOYSA-N
XLogP5.66
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199
2-iodo-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090495
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
2-(difluoromethylsulfonyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122296136
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-3,4-dimethoxybenzamide
CID 44826831
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
2,4-dichloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090464
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261
5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1-phenylpyrazole-4-carboxamide
CID 122296084
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-nitrobenzamide
CID 121032274

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide (CID 121032203) is N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide is Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide?
The InChIKey is HBGWFQFSLOCPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-16-15-22(27-17-7-3-2-4-8-17)30-24(26-16)29-19-13-11-18(12-14-19)28-23(31)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide?
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide has a molecular weight of 413.46 g/mol, XLogP of 5.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 121032203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).