2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane

C12H15F2N3 — CID 172890892

IUPAC2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane
SMILESCc1nccc(N2CCC3(CC2)CC3(F)F)n1
InChIInChI=1S/C12H15F2N3/c1-9-15-5-2-10(16-9)17-6-3-11(4-7-17)8-12(11,13)14/h2,5H,3-4,6-8H2,1H3
InChIKeyCYJKESDFYSPNSE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.41
Rot. Bonds1

About 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane

2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane (PubChem CID 172890892) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane
PubChem CID172890892
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane
SMILESCc1nccc(N2CCC3(CC2)CC3(F)F)n1
InChIInChI=1S/C12H15F2N3/c1-9-15-5-2-10(16-9)17-6-3-11(4-7-17)8-12(11,13)14/h2,5H,3-4,6-8H2,1H3
InChIKeyCYJKESDFYSPNSE-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidine-4-carboxylic acid
CID 18698005
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
CID 172899520
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 86777943
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane (CID 172890892) is 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane is Cc1nccc(N2CCC3(CC2)CC3(F)F)n1.
What is the InChIKey of 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane?
The InChIKey is CYJKESDFYSPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-9-15-5-2-10(16-9)17-6-3-11(4-7-17)8-12(11,13)14/h2,5H,3-4,6-8H2,1H3.
What are the key properties of 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane?
2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane has a molecular weight of 239.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 172890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).