4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine

C12H17N7 — CID 25130233

IUPAC4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-10(16-12(13)17-11)9-7-14-15-8-9/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVFVAYAJYQHUFEX-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.20
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 25130233) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID25130233
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-10(16-12(13)17-11)9-7-14-15-8-9/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVFVAYAJYQHUFEX-UHFFFAOYSA-N
XLogP0.20
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 25130233) is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is VFVAYAJYQHUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-10(16-12(13)17-11)9-7-14-15-8-9/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).