2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C13H19N7 — CID 166633170

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(N3CCN(C)CC3)n2)n[nH]1
InChIInChI=1S/C13H19N7/c1-10-9-12(18-17-10)15-11-3-4-14-13(16-11)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJNQXFZGWOPSURE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.00
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 166633170) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID166633170
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(N3CCN(C)CC3)n2)n[nH]1
InChIInChI=1S/C13H19N7/c1-10-9-12(18-17-10)15-11-3-4-14-13(16-11)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJNQXFZGWOPSURE-UHFFFAOYSA-N
XLogP1.00
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 166633170) is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2ccnc(N3CCN(C)CC3)n2)n[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is JNQXFZGWOPSURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-10-9-12(18-17-10)15-11-3-4-14-13(16-11)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 166633170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).