2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide

C18H15FN4O — CID 109265884

IUPAC2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23(14-7-3-2-4-8-14)17(24)13-11-20-18(21-12-13)22-16-10-6-5-9-15(16)19/h2-12H,1H3,(H,20,21,22)
InChIKeyFROQYIHDKNVAJD-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide

2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109265884) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109265884
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23(14-7-3-2-4-8-14)17(24)13-11-20-18(21-12-13)22-16-10-6-5-9-15(16)19/h2-12H,1H3,(H,20,21,22)
InChIKeyFROQYIHDKNVAJD-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109265906
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide (CID 109265884) is 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide is CN(C(=O)c1cnc(Nc2ccccc2F)nc1)c1ccccc1.
What is the InChIKey of 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is FROQYIHDKNVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23(14-7-3-2-4-8-14)17(24)13-11-20-18(21-12-13)22-16-10-6-5-9-15(16)19/h2-12H,1H3,(H,20,21,22).
What are the key properties of 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).