N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C12H15N5O — CID 2387118

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C12H15N5O/c1-7-5-8(2)14-12(13-7)17-11(15-10(4)18)6-9(3)16-17/h5-6H,1-4H3,(H,15,18)
InChIKeyZQVJWNUNRVGJRP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.55
Rot. Bonds2

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2387118) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2387118
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C12H15N5O/c1-7-5-8(2)14-12(13-7)17-11(15-10(4)18)6-9(3)16-17/h5-6H,1-4H3,(H,15,18)
InChIKeyZQVJWNUNRVGJRP-UHFFFAOYSA-N
XLogP1.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2387118) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is ZQVJWNUNRVGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-5-8(2)14-12(13-7)17-11(15-10(4)18)6-9(3)16-17/h5-6H,1-4H3,(H,15,18).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2387118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).