N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C11H19N3O — CID 122125589

IUPACN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=C[C@@H]1OCC[C@H]1CNC1=NCCCN1
InChIInChI=1S/C11H19N3O/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11/h2,9-10H,1,3-8H2,(H2,12,13,14)/t9-,10-/m0/s1
InChIKeyLVFQMBYPDNPTAI-UWVGGRQHSA-N
MW209.29 g/mol
LogP0.52
Rot. Bonds3

About N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 122125589) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID122125589
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=C[C@@H]1OCC[C@H]1CNC1=NCCCN1
InChIInChI=1S/C11H19N3O/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11/h2,9-10H,1,3-8H2,(H2,12,13,14)/t9-,10-/m0/s1
InChIKeyLVFQMBYPDNPTAI-UWVGGRQHSA-N
XLogP0.52
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 122125589) is N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C=C[C@@H]1OCC[C@H]1CNC1=NCCCN1.
What is the InChIKey of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is LVFQMBYPDNPTAI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11/h2,9-10H,1,3-8H2,(H2,12,13,14)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 122125589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).