N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C17H21N9O — CID 24768406

IUPACN-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27)
InChIKeyQLEOUVARNDJFJN-UHFFFAOYSA-N
MW367.42 g/mol
LogP0.03
Rot. Bonds5

About N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 24768406) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID24768406
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27)
InChIKeyQLEOUVARNDJFJN-UHFFFAOYSA-N
XLogP0.03
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 24768406) is N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1.
What is the InChIKey of N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QLEOUVARNDJFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27).
What are the key properties of N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 367.42 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).