2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C18H23N5 — CID 118741192

IUPAC2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2
InChIKeyJCUBFRWWRNAFPE-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.36
Rot. Bonds3

About 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 118741192) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID118741192
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2
InChIKeyJCUBFRWWRNAFPE-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 118741192) is 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is c1cnc(N2CCCC3(CCN(Cc4ccncc4)C3)C2)nc1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is JCUBFRWWRNAFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 309.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118741192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).