3-pyrimidin-2-yloxolan-3-amine;hydrochloride

C8H12ClN3O — CID 136575768

IUPAC3-pyrimidin-2-yloxolan-3-amine;hydrochloride
SMILESCl.NC1(c2ncccn2)CCOC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;/h1,3-4H,2,5-6,9H2;1H
InChIKeyISCVCKDMWDCNAE-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.47
Rot. Bonds1

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

3-pyrimidin-2-yloxolan-3-amine;hydrochloride (PubChem CID 136575768) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-pyrimidin-2-yloxolan-3-amine;hydrochloride
PubChem CID136575768
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name3-pyrimidin-2-yloxolan-3-amine;hydrochloride
SMILESCl.NC1(c2ncccn2)CCOC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;/h1,3-4H,2,5-6,9H2;1H
InChIKeyISCVCKDMWDCNAE-UHFFFAOYSA-N
XLogP0.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyrimidin-2-yloxolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxolan-3-amine;hydrochloride?
The IUPAC name of 3-pyrimidin-2-yloxolan-3-amine;hydrochloride (CID 136575768) is 3-pyrimidin-2-yloxolan-3-amine;hydrochloride.
What is the SMILES notation for 3-pyrimidin-2-yloxolan-3-amine;hydrochloride?
The canonical SMILES for 3-pyrimidin-2-yloxolan-3-amine;hydrochloride is Cl.NC1(c2ncccn2)CCOC1.
What is the InChIKey of 3-pyrimidin-2-yloxolan-3-amine;hydrochloride?
The InChIKey is ISCVCKDMWDCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c9-8(2-5-12-6-8)7-10-3-1-4-11-7;/h1,3-4H,2,5-6,9H2;1H.
What are the key properties of 3-pyrimidin-2-yloxolan-3-amine;hydrochloride?
3-pyrimidin-2-yloxolan-3-amine;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.47, 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;hydrochloride is sourced from PubChem (CID 136575768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).