N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide

C16H22N6O — CID 2332241

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC2)n1
InChIInChI=1S/C16H22N6O/c1-11-8-12(2)18-16(17-11)22-14(9-13(3)20-22)19-15(23)10-21-6-4-5-7-21/h8-9H,4-7,10H2,1-3H3,(H,19,23)
InChIKeyJMOSJDHJBCFLBG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 2332241) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID2332241
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC2)n1
InChIInChI=1S/C16H22N6O/c1-11-8-12(2)18-16(17-11)22-14(9-13(3)20-22)19-15(23)10-21-6-4-5-7-21/h8-9H,4-7,10H2,1-3H3,(H,19,23)
InChIKeyJMOSJDHJBCFLBG-UHFFFAOYSA-N
XLogP1.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide (CID 2332241) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is JMOSJDHJBCFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-8-12(2)18-16(17-11)22-14(9-13(3)20-22)19-15(23)10-21-6-4-5-7-21/h8-9H,4-7,10H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2332241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).