N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide

C19H17FN4O — CID 109347946

IUPACN-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O/c1-24(12-14-5-3-2-4-6-14)19(25)17-11-18(22-13-21-17)23-16-9-7-15(20)8-10-16/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyZIPUWOSQWKIFDS-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.63
Rot. Bonds5

About N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide

N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109347946) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109347946
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O/c1-24(12-14-5-3-2-4-6-14)19(25)17-11-18(22-13-21-17)23-16-9-7-15(20)8-10-16/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyZIPUWOSQWKIFDS-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109347893
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347996
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide (CID 109347946) is N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is ZIPUWOSQWKIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24(12-14-5-3-2-4-6-14)19(25)17-11-18(22-13-21-17)23-16-9-7-15(20)8-10-16/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).