(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine

C7H7ClN4 — CID 84718696

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
SMILESNCc1cnn2cc(Cl)cnc12
InChIInChI=1S/C7H7ClN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H,1,9H2
InChIKeyIJWJPMIBIVFTHF-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.84
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine

(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine (PubChem CID 84718696) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
PubChem CID84718696
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
SMILESNCc1cnn2cc(Cl)cnc12
InChIInChI=1S/C7H7ClN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H,1,9H2
InChIKeyIJWJPMIBIVFTHF-UHFFFAOYSA-N
XLogP0.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine (CID 84718696) is (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine is NCc1cnn2cc(Cl)cnc12.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine?
The InChIKey is IJWJPMIBIVFTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H,1,9H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine?
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine has a molecular weight of 182.61 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 84718696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).