pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride

C7H9Cl2N3 — CID 146160527

IUPACpyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2cccn2c1
InChIInChI=1S/C7H7N3.2ClH/c8-6-4-9-7-2-1-3-10(7)5-6;;/h1-5H,8H2;2*1H
InChIKeyFXMFYXMFIIZFHI-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.76
Rot. Bonds

About pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride

pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride (PubChem CID 146160527) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride.

Molecular Properties

Compound Namepyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride
PubChem CID146160527
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Namepyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2cccn2c1
InChIInChI=1S/C7H7N3.2ClH/c8-6-4-9-7-2-1-3-10(7)5-6;;/h1-5H,8H2;2*1H
InChIKeyFXMFYXMFIIZFHI-UHFFFAOYSA-N
XLogP1.76
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride?
The IUPAC name of pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride (CID 146160527) is pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride.
What is the SMILES notation for pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride?
The canonical SMILES for pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride is Cl.Cl.Nc1cnc2cccn2c1.
What is the InChIKey of pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride?
The InChIKey is FXMFYXMFIIZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2ClH/c8-6-4-9-7-2-1-3-10(7)5-6;;/h1-5H,8H2;2*1H.
What are the key properties of pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride?
pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]pyrimidin-3-amine;dihydrochloride is sourced from PubChem (CID 146160527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).