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

C17H18F2N4O — CID 71807245

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O/c1-10-15(11(2)21-17(20-10)23-8-3-4-9-23)22-16(24)14-12(18)6-5-7-13(14)19/h5-7H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyXSRROUXKYXFKPP-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.22
Rot. Bonds3

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

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide (PubChem CID 71807245) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
PubChem CID71807245
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O/c1-10-15(11(2)21-17(20-10)23-8-3-4-9-23)22-16(24)14-12(18)6-5-7-13(14)19/h5-7H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyXSRROUXKYXFKPP-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464
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)-2,5-dimethylbenzamide
CID 122356474
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122356553
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356760
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356580
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide (CID 71807245) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide?
The InChIKey is XSRROUXKYXFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-10-15(11(2)21-17(20-10)23-8-3-4-9-23)22-16(24)14-12(18)6-5-7-13(14)19/h5-7H,3-4,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide has a molecular weight of 332.35 g/mol, XLogP of 3.22, 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)-2,6-difluorobenzamide is sourced from PubChem (CID 71807245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).