4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide

C20H19FN4O — CID 108807948

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H19FN4O/c1-13-11-14(2)24-20(23-13)25-18-9-5-16(6-10-18)19(26)22-12-15-3-7-17(21)8-4-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyXWQLKOGKIGRVIU-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.91
Rot. Bonds5

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 108807948) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID108807948
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H19FN4O/c1-13-11-14(2)24-20(23-13)25-18-9-5-16(6-10-18)19(26)22-12-15-3-7-17(21)8-4-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyXWQLKOGKIGRVIU-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736256
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194273
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzamide
CID 664776
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide (CID 108807948) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is XWQLKOGKIGRVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-11-14(2)24-20(23-13)25-18-9-5-16(6-10-18)19(26)22-12-15-3-7-17(21)8-4-15/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 108807948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).