2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane

C11H16N4 — CID 3233309

IUPAC2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CCNCC3)C2)nc1
InChIInChI=1S/C11H16N4/c1-4-13-10(14-5-1)15-8-11(9-15)2-6-12-7-3-11/h1,4-5,12H,2-3,6-9H2
InChIKeyPSSHFACNLAZRIA-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.67
Rot. Bonds1

About 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane

2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 3233309) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID3233309
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CCNCC3)C2)nc1
InChIInChI=1S/C11H16N4/c1-4-13-10(14-5-1)15-8-11(9-15)2-6-12-7-3-11/h1,4-5,12H,2-3,6-9H2
InChIKeyPSSHFACNLAZRIA-UHFFFAOYSA-N
XLogP0.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane (CID 3233309) is 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane is c1cnc(N2CC3(CCNCC3)C2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PSSHFACNLAZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-13-10(14-5-1)15-8-11(9-15)2-6-12-7-3-11/h1,4-5,12H,2-3,6-9H2.
What are the key properties of 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 204.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3233309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).