2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

C13H17N5O2 — CID 7588256

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(N)=O)n1
InChIInChI=1S/C13H17N5O2/c1-7-5-8(2)18(16-7)13-15-10(4)9(3)12(20)17(13)6-11(14)19/h5H,6H2,1-4H3,(H2,14,19)
InChIKeySNMZZARKLLUWGR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.15
Rot. Bonds3

About 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 7588256) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID7588256
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(N)=O)n1
InChIInChI=1S/C13H17N5O2/c1-7-5-8(2)18(16-7)13-15-10(4)9(3)12(20)17(13)6-11(14)19/h5H,6H2,1-4H3,(H2,14,19)
InChIKeySNMZZARKLLUWGR-UHFFFAOYSA-N
XLogP0.15
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (CID 7588256) is 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(N)=O)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is SNMZZARKLLUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-5-8(2)18(16-7)13-15-10(4)9(3)12(20)17(13)6-11(14)19/h5H,6H2,1-4H3,(H2,14,19).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 7588256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).