4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C13H19N7 — CID 25131560

IUPAC4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)CC1
InChIInChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-11(16-13(14)17-12)10-8-15-19(2)9-10/h7-9H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyJKUYPAIMJPEWND-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.21
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 25131560) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID25131560
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)CC1
InChIInChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-11(16-13(14)17-12)10-8-15-19(2)9-10/h7-9H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyJKUYPAIMJPEWND-UHFFFAOYSA-N
XLogP0.21
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 25131560) is 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is JKUYPAIMJPEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-18-3-5-20(6-4-18)12-7-11(16-13(14)17-12)10-8-15-19(2)9-10/h7-9H,3-6H2,1-2H3,(H2,14,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 25131560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).