2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane

C17H21N5 — CID 97472534

IUPAC2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H21N5/c1-14-7-19-16(20-8-14)22-12-17(13-22)4-6-21(11-17)10-15-3-2-5-18-9-15/h2-3,5,7-9H,4,6,10-13H2,1H3
InChIKeyVPCMCGIATLYJQL-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane

2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472534) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472534
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H21N5/c1-14-7-19-16(20-8-14)22-12-17(13-22)4-6-21(11-17)10-15-3-2-5-18-9-15/h2-3,5,7-9H,4,6,10-13H2,1H3
InChIKeyVPCMCGIATLYJQL-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (CID 97472534) is 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is Cc1cnc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is VPCMCGIATLYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-14-7-19-16(20-8-14)22-12-17(13-22)4-6-21(11-17)10-15-3-2-5-18-9-15/h2-3,5,7-9H,4,6,10-13H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 295.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).