N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide

C17H19FN4O — CID 71807242

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN4O/c1-11-15(21-16(23)13-6-5-7-14(18)10-13)12(2)20-17(19-11)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyVEDSGENEFYJSOT-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.09
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide (PubChem CID 71807242) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
PubChem CID71807242
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN4O/c1-11-15(21-16(23)13-6-5-7-14(18)10-13)12(2)20-17(19-11)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyVEDSGENEFYJSOT-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 71807259
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122356474
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide (CID 71807242) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide?
The InChIKey is VEDSGENEFYJSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-15(21-16(23)13-6-5-7-14(18)10-13)12(2)20-17(19-11)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 71807242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).