2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C15H18N8O — CID 46985324

IUPAC2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)nc(N)n1
InChIInChI=1S/C15H18N8O/c1-9-4-12(19-15(16)18-9)11-6-17-23(7-11)8-14(24)20-13-5-10(2)21-22(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H2,16,18,19)
InChIKeyXQXUEWRALDKAJI-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 46985324) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID46985324
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)nc(N)n1
InChIInChI=1S/C15H18N8O/c1-9-4-12(19-15(16)18-9)11-6-17-23(7-11)8-14(24)20-13-5-10(2)21-22(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H2,16,18,19)
InChIKeyXQXUEWRALDKAJI-UHFFFAOYSA-N
XLogP0.91
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 46985324) is 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)nc(N)n1.
What is the InChIKey of 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XQXUEWRALDKAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-4-12(19-15(16)18-9)11-6-17-23(7-11)8-14(24)20-13-5-10(2)21-22(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H2,16,18,19).
What are the key properties of 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46985324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).