1-pyrimidin-4-ylethanamine;dihydrochloride

C6H11Cl2N3 — CID 68754471

IUPAC1-pyrimidin-4-ylethanamine;dihydrochloride
SMILESCC(N)c1ccncn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5(7)6-2-3-8-4-9-6;;/h2-5H,7H2,1H3;2*1H
InChIKeyXPVFVFAOQUGQDG-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.34
Rot. Bonds1

About 1-pyrimidin-4-ylethanamine;dihydrochloride

1-pyrimidin-4-ylethanamine;dihydrochloride (PubChem CID 68754471) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 1-pyrimidin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name1-pyrimidin-4-ylethanamine;dihydrochloride
PubChem CID68754471
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name1-pyrimidin-4-ylethanamine;dihydrochloride
SMILESCC(N)c1ccncn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5(7)6-2-3-8-4-9-6;;/h2-5H,7H2,1H3;2*1H
InChIKeyXPVFVFAOQUGQDG-UHFFFAOYSA-N
XLogP1.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylethanamine;dihydrochloride?
The IUPAC name of 1-pyrimidin-4-ylethanamine;dihydrochloride (CID 68754471) is 1-pyrimidin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for 1-pyrimidin-4-ylethanamine;dihydrochloride?
The canonical SMILES for 1-pyrimidin-4-ylethanamine;dihydrochloride is CC(N)c1ccncn1.Cl.Cl.
What is the InChIKey of 1-pyrimidin-4-ylethanamine;dihydrochloride?
The InChIKey is XPVFVFAOQUGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-5(7)6-2-3-8-4-9-6;;/h2-5H,7H2,1H3;2*1H.
What are the key properties of 1-pyrimidin-4-ylethanamine;dihydrochloride?
1-pyrimidin-4-ylethanamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 68754471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).