4-pyrrolidin-2-ylpyrimidine;dihydrochloride

C8H13Cl2N3 — CID 75485384

IUPAC4-pyrrolidin-2-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCCN2)ncn1
InChIInChI=1S/C8H11N3.2ClH/c1-2-7(10-4-1)8-3-5-9-6-11-8;;/h3,5-7,10H,1-2,4H2;2*1H
InChIKeyHXRWIPGZGRLGOX-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.74
Rot. Bonds1

About 4-pyrrolidin-2-ylpyrimidine;dihydrochloride

4-pyrrolidin-2-ylpyrimidine;dihydrochloride (PubChem CID 75485384) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-pyrrolidin-2-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-2-ylpyrimidine;dihydrochloride
PubChem CID75485384
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Name4-pyrrolidin-2-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCCN2)ncn1
InChIInChI=1S/C8H11N3.2ClH/c1-2-7(10-4-1)8-3-5-9-6-11-8;;/h3,5-7,10H,1-2,4H2;2*1H
InChIKeyHXRWIPGZGRLGOX-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-ylpyrimidine;dihydrochloride?
The IUPAC name of 4-pyrrolidin-2-ylpyrimidine;dihydrochloride (CID 75485384) is 4-pyrrolidin-2-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 4-pyrrolidin-2-ylpyrimidine;dihydrochloride?
The canonical SMILES for 4-pyrrolidin-2-ylpyrimidine;dihydrochloride is Cl.Cl.c1cc(C2CCCN2)ncn1.
What is the InChIKey of 4-pyrrolidin-2-ylpyrimidine;dihydrochloride?
The InChIKey is HXRWIPGZGRLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2ClH/c1-2-7(10-4-1)8-3-5-9-6-11-8;;/h3,5-7,10H,1-2,4H2;2*1H.
What are the key properties of 4-pyrrolidin-2-ylpyrimidine;dihydrochloride?
4-pyrrolidin-2-ylpyrimidine;dihydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 75485384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).