5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

C10H8ClN7 — CID 53467826

IUPAC5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1Cl
InChIInChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKeyNSIBZHWOMMEPMS-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.08
Rot. Bonds2

About 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53467826) has the molecular formula C10H8ClN7 and a molecular weight of 261.68 g/mol. Its IUPAC name is 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
PubChem CID53467826
Molecular FormulaC10H8ClN7
Molecular Weight261.68 g/mol
Exact Mass261.05
IUPAC Name5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1Cl
InChIInChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKeyNSIBZHWOMMEPMS-UHFFFAOYSA-N
XLogP1.08
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (CID 53467826) is 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is Nc1nc(-n2cccn2)nc(-n2cccn2)c1Cl.
What is the InChIKey of 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is NSIBZHWOMMEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16).
What are the key properties of 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 261.68 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).