6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C20H19FN4O — CID 109371585

IUPAC6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-23-18(20(26)22-12-11-15-5-3-2-4-6-15)13-19(24-14)25-17-9-7-16(21)8-10-17/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyRZTWOBYGJPCYQC-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.64
Rot. Bonds6

About 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109371585) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109371585
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-23-18(20(26)22-12-11-15-5-3-2-4-6-15)13-19(24-14)25-17-9-7-16(21)8-10-17/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyRZTWOBYGJPCYQC-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
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-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371141
6-(3-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372240
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109371585) is 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2)cc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is RZTWOBYGJPCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-23-18(20(26)22-12-11-15-5-3-2-4-6-15)13-19(24-14)25-17-9-7-16(21)8-10-17/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).