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

C7H13Cl2N3O — CID 91654410

IUPAC3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCOc1ncccn1
InChIInChI=1S/C7H11N3O.2ClH/c8-3-1-6-11-7-9-4-2-5-10-7;;/h2,4-5H,1,3,6,8H2;2*1H
InChIKeyDBNOZHFSKZPZAZ-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.05
Rot. Bonds4

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

3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride (PubChem CID 91654410) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride
PubChem CID91654410
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCOc1ncccn1
InChIInChI=1S/C7H11N3O.2ClH/c8-3-1-6-11-7-9-4-2-5-10-7;;/h2,4-5H,1,3,6,8H2;2*1H
InChIKeyDBNOZHFSKZPZAZ-UHFFFAOYSA-N
XLogP1.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride?
The IUPAC name of 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride (CID 91654410) is 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride?
The canonical SMILES for 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride is Cl.Cl.NCCCOc1ncccn1.
What is the InChIKey of 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride?
The InChIKey is DBNOZHFSKZPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c8-3-1-6-11-7-9-4-2-5-10-7;;/h2,4-5H,1,3,6,8H2;2*1H.
What are the key properties of 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride?
3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxypropan-1-amine;dihydrochloride is sourced from PubChem (CID 91654410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).