N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide

C20H24N6O — CID 4695351

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2ccccc2)n1
InChIInChI=1S/C20H24N6O/c1-13-10-14(2)23-20(22-13)26-18(11-15(3)25-26)24-19(27)12-21-16(4)17-8-6-5-7-9-17/h5-11,16,21H,12H2,1-4H3,(H,24,27)
InChIKeyGVQQEEITBKLZLA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide (PubChem CID 4695351) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
PubChem CID4695351
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2ccccc2)n1
InChIInChI=1S/C20H24N6O/c1-13-10-14(2)23-20(22-13)26-18(11-15(3)25-26)24-19(27)12-21-16(4)17-8-6-5-7-9-17/h5-11,16,21H,12H2,1-4H3,(H,24,27)
InChIKeyGVQQEEITBKLZLA-UHFFFAOYSA-N
XLogP2.88
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide (CID 4695351) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2ccccc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide?
The InChIKey is GVQQEEITBKLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-10-14(2)23-20(22-13)26-18(11-15(3)25-26)24-19(27)12-21-16(4)17-8-6-5-7-9-17/h5-11,16,21H,12H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 4695351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).