5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine

C6H4ClFN4 — CID 90135476

IUPAC5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(F)c(Cl)nc2ccnn12
InChIInChI=1S/C6H4ClFN4/c7-5-4(8)6(9)12-3(11-5)1-2-10-12/h1-2H,9H2
InChIKeyOVCHFXFAEOICMD-UHFFFAOYSA-N
MW186.58 g/mol
LogP1.10
Rot. Bonds

About 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 90135476) has the molecular formula C6H4ClFN4 and a molecular weight of 186.58 g/mol. Its IUPAC name is 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID90135476
Molecular FormulaC6H4ClFN4
Molecular Weight186.58 g/mol
Exact Mass186.01
IUPAC Name5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(F)c(Cl)nc2ccnn12
InChIInChI=1S/C6H4ClFN4/c7-5-4(8)6(9)12-3(11-5)1-2-10-12/h1-2H,9H2
InChIKeyOVCHFXFAEOICMD-UHFFFAOYSA-N
XLogP1.10
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine (CID 90135476) is 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(F)c(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OVCHFXFAEOICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN4/c7-5-4(8)6(9)12-3(11-5)1-2-10-12/h1-2H,9H2.
What are the key properties of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 186.58 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 90135476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).