ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine

C10H17N3O — CID 176711396

IUPACethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine
SMILESCC.Cc1cnc(C2(N)COC2)nc1
InChIInChI=1S/C8H11N3O.C2H6/c1-6-2-10-7(11-3-6)8(9)4-12-5-8;1-2/h2-3H,4-5,9H2,1H3;1-2H3
InChIKeyIURWZSWFSDTAGH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.00
Rot. Bonds1

About ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine

ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine (PubChem CID 176711396) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine.

Molecular Properties

Compound Nameethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine
PubChem CID176711396
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nameethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine
SMILESCC.Cc1cnc(C2(N)COC2)nc1
InChIInChI=1S/C8H11N3O.C2H6/c1-6-2-10-7(11-3-6)8(9)4-12-5-8;1-2/h2-3H,4-5,9H2,1H3;1-2H3
InChIKeyIURWZSWFSDTAGH-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
CID 155970384
1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 130545603
ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol
CID 178060643
3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine
CID 172531840
3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 176650900
3-(5-methyl-3-pyridinyl)oxan-3-amine
CID 115373854
3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine
CID 169151044
2,5-dimethylpyrimidine;methanamine
CID 161178837
5-methylpyrimidin-2-amine
CID 12999933
1-(5-fluoropyrimidin-2-yl)cyclopropan-1-amine
CID 67291362
ethane;5-methylpyrimidine-2-carboxamide
CID 171564722

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine?
The IUPAC name of ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine (CID 176711396) is ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine.
What is the SMILES notation for ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine?
The canonical SMILES for ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine is CC.Cc1cnc(C2(N)COC2)nc1.
What is the InChIKey of ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine?
The InChIKey is IURWZSWFSDTAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6/c1-6-2-10-7(11-3-6)8(9)4-12-5-8;1-2/h2-3H,4-5,9H2,1H3;1-2H3.
What are the key properties of ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine?
ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine is sourced from PubChem (CID 176711396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).