N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide

C16H22N6O — CID 25207956

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23)
InChIKeyFINGQUKKTRAYQK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 25207956) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID25207956
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23)
InChIKeyFINGQUKKTRAYQK-UHFFFAOYSA-N
XLogP2.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide (CID 25207956) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CCCC2C)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is FINGQUKKTRAYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25207956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).