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

C15H18N6O2 — CID 24989636

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22)
InChIKeyXKIKFDDSMFZYHX-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.36
Rot. Bonds3

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 24989636) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID24989636
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22)
InChIKeyXKIKFDDSMFZYHX-UHFFFAOYSA-N
XLogP1.36
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.36
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-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide (CID 24989636) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is XKIKFDDSMFZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.36, 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-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24989636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).