N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C12H15N5O2 — CID 135551466

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H15N5O2/c1-6-5-10(14-9(4)18)17(16-6)12-13-8(3)7(2)11(19)15-12/h5H,1-4H3,(H,14,18)(H,13,15,19)
InChIKeyXLTPFSKFLRAOMN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.84
Rot. Bonds2

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 135551466) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID135551466
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H15N5O2/c1-6-5-10(14-9(4)18)17(16-6)12-13-8(3)7(2)11(19)15-12/h5H,1-4H3,(H,14,18)(H,13,15,19)
InChIKeyXLTPFSKFLRAOMN-UHFFFAOYSA-N
XLogP0.84
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 135551466) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is XLTPFSKFLRAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6-5-10(14-9(4)18)17(16-6)12-13-8(3)7(2)11(19)15-12/h5H,1-4H3,(H,14,18)(H,13,15,19).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 135551466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).