N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide

C15H17FN4O — CID 72718411

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccccc2F)nc(N(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyUPPXKKNVROBMAN-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.92
Rot. Bonds4

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide (PubChem CID 72718411) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
PubChem CID72718411
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccccc2F)nc(N(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyUPPXKKNVROBMAN-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
1-[(1R)-1-(2,3-difluorophenyl)ethyl]-3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]urea
CID 99833323
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-nitrobenzamide
CID 122354201
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122353954
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353945

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide (CID 72718411) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide is Cc1cc(CNC(=O)c2ccccc2F)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide?
The InChIKey is UPPXKKNVROBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide has a molecular weight of 288.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 72718411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).