(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane

C11H13Cl2N3O — CID 172608426

IUPAC(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane
SMILESC[C@H]1COC2(CC2)CN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-7-5-17-11(2-3-11)6-16(7)9-8(12)4-14-10(13)15-9/h4,7H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyJHVFADYNSAONMM-ZETCQYMHSA-N
MW274.15 g/mol
LogP2.54
Rot. Bonds1

About (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane

(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane (PubChem CID 172608426) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane
PubChem CID172608426
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane
SMILESC[C@H]1COC2(CC2)CN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-7-5-17-11(2-3-11)6-16(7)9-8(12)4-14-10(13)15-9/h4,7H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyJHVFADYNSAONMM-ZETCQYMHSA-N
XLogP2.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane (CID 172608426) is (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane is C[C@H]1COC2(CC2)CN1c1nc(Cl)ncc1Cl.
What is the InChIKey of (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is JHVFADYNSAONMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-7-5-17-11(2-3-11)6-16(7)9-8(12)4-14-10(13)15-9/h4,7H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane?
(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 274.15 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 172608426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).