5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine

C15H15N9 — CID 102246386

IUPAC5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine
SMILESNc1nc(Cn2cccn2)nc(Cn2cccn2)c1-n1cccn1
InChIInChI=1S/C15H15N9/c16-15-14(24-9-3-6-19-24)12(10-22-7-1-4-17-22)20-13(21-15)11-23-8-2-5-18-23/h1-9H,10-11H2,(H2,16,20,21)
InChIKeyXTWOWUFCSOPTTB-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.73
Rot. Bonds5

About 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine

5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine (PubChem CID 102246386) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine
PubChem CID102246386
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine
SMILESNc1nc(Cn2cccn2)nc(Cn2cccn2)c1-n1cccn1
InChIInChI=1S/C15H15N9/c16-15-14(24-9-3-6-19-24)12(10-22-7-1-4-17-22)20-13(21-15)11-23-8-2-5-18-23/h1-9H,10-11H2,(H2,16,20,21)
InChIKeyXTWOWUFCSOPTTB-UHFFFAOYSA-N
XLogP0.73
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine (CID 102246386) is 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine is Nc1nc(Cn2cccn2)nc(Cn2cccn2)c1-n1cccn1.
What is the InChIKey of 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine?
The InChIKey is XTWOWUFCSOPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c16-15-14(24-9-3-6-19-24)12(10-22-7-1-4-17-22)20-13(21-15)11-23-8-2-5-18-23/h1-9H,10-11H2,(H2,16,20,21).
What are the key properties of 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine?
5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine has a molecular weight of 321.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-2,6-bis(pyrazol-1-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 102246386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).