(1R)-1-pyrimidin-2-ylethanamine;hydrochloride

C6H10ClN3 — CID 146680703

IUPAC(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
SMILESC[C@@H](N)c1ncccn1.Cl
InChIInChI=1S/C6H9N3.ClH/c1-5(7)6-8-3-2-4-9-6;/h2-5H,7H2,1H3;1H/t5-;/m1./s1
InChIKeyYSFPQOISZUZLBH-NUBCRITNSA-N
MW159.62 g/mol
LogP0.92
Rot. Bonds1

About (1R)-1-pyrimidin-2-ylethanamine;hydrochloride

(1R)-1-pyrimidin-2-ylethanamine;hydrochloride (PubChem CID 146680703) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is (1R)-1-pyrimidin-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
PubChem CID146680703
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
SMILESC[C@@H](N)c1ncccn1.Cl
InChIInChI=1S/C6H9N3.ClH/c1-5(7)6-8-3-2-4-9-6;/h2-5H,7H2,1H3;1H/t5-;/m1./s1
InChIKeyYSFPQOISZUZLBH-NUBCRITNSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyrimidin-2-ylethanamine;hydrochloride?
The IUPAC name of (1R)-1-pyrimidin-2-ylethanamine;hydrochloride (CID 146680703) is (1R)-1-pyrimidin-2-ylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-pyrimidin-2-ylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-pyrimidin-2-ylethanamine;hydrochloride is C[C@@H](N)c1ncccn1.Cl.
What is the InChIKey of (1R)-1-pyrimidin-2-ylethanamine;hydrochloride?
The InChIKey is YSFPQOISZUZLBH-NUBCRITNSA-N. The full InChI is InChI=1S/C6H9N3.ClH/c1-5(7)6-8-3-2-4-9-6;/h2-5H,7H2,1H3;1H/t5-;/m1./s1.
What are the key properties of (1R)-1-pyrimidin-2-ylethanamine;hydrochloride?
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyrimidin-2-ylethanamine;hydrochloride is sourced from PubChem (CID 146680703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).