3-pyrimidin-2-yloxolan-3-amine;dihydrochloride

C8H13Cl2N3O — CID 156564930

IUPAC3-pyrimidin-2-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncccn2)CCOC1
InChIInChI=1S/C8H11N3O.2ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;;/h1,3-4H,2,5-6,9H2;2*1H
InChIKeyPBBRGZRSEUPTHV-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.89
Rot. Bonds1

About 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride

3-pyrimidin-2-yloxolan-3-amine;dihydrochloride (PubChem CID 156564930) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-pyrimidin-2-yloxolan-3-amine;dihydrochloride
PubChem CID156564930
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name3-pyrimidin-2-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncccn2)CCOC1
InChIInChI=1S/C8H11N3O.2ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;;/h1,3-4H,2,5-6,9H2;2*1H
InChIKeyPBBRGZRSEUPTHV-UHFFFAOYSA-N
XLogP0.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride?
The IUPAC name of 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride (CID 156564930) is 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride.
What is the SMILES notation for 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride?
The canonical SMILES for 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride is Cl.Cl.NC1(c2ncccn2)CCOC1.
What is the InChIKey of 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride?
The InChIKey is PBBRGZRSEUPTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;;/h1,3-4H,2,5-6,9H2;2*1H.
What are the key properties of 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride?
3-pyrimidin-2-yloxolan-3-amine;dihydrochloride has a molecular weight of 238.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxolan-3-amine;dihydrochloride is sourced from PubChem (CID 156564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).