6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

C20H17F3N4O — CID 109371993

IUPAC6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-18(20(28)24-9-8-13-2-4-14(21)5-3-13)11-19(26-12)27-17-7-6-15(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOBYVVRGRGPGKQR-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.92
Rot. Bonds6

About 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371993) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109371993
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-18(20(28)24-9-8-13-2-4-14(21)5-3-13)11-19(26-12)27-17-7-6-15(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOBYVVRGRGPGKQR-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372241
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
6-(3-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372240
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109371993) is 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is OBYVVRGRGPGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-25-18(20(28)24-9-8-13-2-4-14(21)5-3-13)11-19(26-12)27-17-7-6-15(22)10-16(17)23/h2-7,10-11H,8-9H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).