2-pyrimidin-4-ylethanamine;dihydrochloride

C6H11Cl2N3 — CID 68762654

IUPAC2-pyrimidin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ccncn1
InChIInChI=1S/C6H9N3.2ClH/c7-3-1-6-2-4-8-5-9-6;;/h2,4-5H,1,3,7H2;2*1H
InChIKeyOCIGFFGEXLUQQU-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.82
Rot. Bonds2

About 2-pyrimidin-4-ylethanamine;dihydrochloride

2-pyrimidin-4-ylethanamine;dihydrochloride (PubChem CID 68762654) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 2-pyrimidin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-pyrimidin-4-ylethanamine;dihydrochloride
PubChem CID68762654
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name2-pyrimidin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ccncn1
InChIInChI=1S/C6H9N3.2ClH/c7-3-1-6-2-4-8-5-9-6;;/h2,4-5H,1,3,7H2;2*1H
InChIKeyOCIGFFGEXLUQQU-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylethanamine;dihydrochloride?
The IUPAC name of 2-pyrimidin-4-ylethanamine;dihydrochloride (CID 68762654) is 2-pyrimidin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for 2-pyrimidin-4-ylethanamine;dihydrochloride?
The canonical SMILES for 2-pyrimidin-4-ylethanamine;dihydrochloride is Cl.Cl.NCCc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylethanamine;dihydrochloride?
The InChIKey is OCIGFFGEXLUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c7-3-1-6-2-4-8-5-9-6;;/h2,4-5H,1,3,7H2;2*1H.
What are the key properties of 2-pyrimidin-4-ylethanamine;dihydrochloride?
2-pyrimidin-4-ylethanamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 68762654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).