4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide

C15H18FN5O — CID 178120166

IUPAC4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(F)cc1Nc1ncc(N(C)C)c(C)n1
InChIInChI=1S/C15H18FN5O/c1-8-5-10(14(17)22)11(16)6-12(8)20-15-18-7-13(21(3)4)9(2)19-15/h5-7H,1-4H3,(H2,17,22)(H,18,19,20)
InChIKeyIVISLOILAMBDFY-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.14
Rot. Bonds4

About 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide

4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide (PubChem CID 178120166) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
PubChem CID178120166
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(F)cc1Nc1ncc(N(C)C)c(C)n1
InChIInChI=1S/C15H18FN5O/c1-8-5-10(14(17)22)11(16)6-12(8)20-15-18-7-13(21(3)4)9(2)19-15/h5-7H,1-4H3,(H2,17,22)(H,18,19,20)
InChIKeyIVISLOILAMBDFY-UHFFFAOYSA-N
XLogP2.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(dimethylamino)-4-[formyl-(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 177338710
4-[[4-[4-cyanobutyl(formyl)amino]-5-(dimethylamino)pyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 177344203
2-fluoro-4-[[4-[formyl(oxan-4-yl)amino]-5-[methyl(1,1,2,2,2-pentahydroxyethyl)amino]pyrimidin-2-yl]amino]-5-methylbenzamide
CID 177344187
cyclohexanol;4-[(7,9-dimethyl-8-oxopurin-2-yl)amino]-2-fluoro-5-methylbenzamide
CID 178015286
2-fluoro-4-[[9-(5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-7-methyl-8-oxopurin-2-yl]amino]-5-methylbenzamide
CID 166802523
2-fluoro-4-methyl-5-[[4-[2-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 90331524
4-[[7-ethyl-8-(oxan-4-yl)-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]amino]-2-fluoro-5-methylbenzamide
CID 177344173
CID 178120173
CID 178120173
4-[[9-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]-7-methyl-8-oxopurin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 156889771
2-fluoro-5-methyl-4-[[9-(oxan-4-yl)-8-oxo-7-propan-2-ylpurin-2-yl]amino]benzamide
CID 156889700
2-fluoro-5-methyl-4-[(1-methyl-5-piperidin-4-yl-2,4-dihydropyrimido[4,5-d][1,3,6]oxadiazepin-7-yl)amino]benzamide
CID 177338735
4-[[7-ethyl-8-oxo-9-(oxolan-3-yl)purin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 166802275

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide?
The IUPAC name of 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide (CID 178120166) is 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide?
The canonical SMILES for 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide is Cc1cc(C(N)=O)c(F)cc1Nc1ncc(N(C)C)c(C)n1.
What is the InChIKey of 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide?
The InChIKey is IVISLOILAMBDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-8-5-10(14(17)22)11(16)6-12(8)20-15-18-7-13(21(3)4)9(2)19-15/h5-7H,1-4H3,(H2,17,22)(H,18,19,20).
What are the key properties of 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide?
4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide has a molecular weight of 303.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 178120166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).