7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C16H19N5 — CID 97472574

IUPAC7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C16H19N5/c1-5-18-15(19-6-1)21-12-16(13-21)4-9-20(11-16)10-14-2-7-17-8-3-14/h1-3,5-8H,4,9-13H2
InChIKeySQLRQRBETVBFKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.58
Rot. Bonds3

About 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97472574) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97472574
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C16H19N5/c1-5-18-15(19-6-1)21-12-16(13-21)4-9-20(11-16)10-14-2-7-17-8-3-14/h1-3,5-8H,4,9-13H2
InChIKeySQLRQRBETVBFKX-UHFFFAOYSA-N
XLogP1.58
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 97472574) is 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is c1cnc(N2CC3(CCN(Cc4ccncc4)C3)C2)nc1.
What is the InChIKey of 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is SQLRQRBETVBFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-5-18-15(19-6-1)21-12-16(13-21)4-9-20(11-16)10-14-2-7-17-8-3-14/h1-3,5-8H,4,9-13H2.
What are the key properties of 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 281.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).