1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride

C8H14Cl2N4 — CID 91623869

IUPAC1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4.2ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;;/h1,3-4,7H,2,5-6,9H2;2*1H
InChIKeyHDEIFSHZQSDEJM-UHFFFAOYSA-N
MW237.13 g/mol
LogP0.86
Rot. Bonds1

About 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride

1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride (PubChem CID 91623869) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride
PubChem CID91623869
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4.2ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;;/h1,3-4,7H,2,5-6,9H2;2*1H
InChIKeyHDEIFSHZQSDEJM-UHFFFAOYSA-N
XLogP0.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride (CID 91623869) is 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is HDEIFSHZQSDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;;/h1,3-4,7H,2,5-6,9H2;2*1H.
What are the key properties of 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride?
1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 91623869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).