4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine

C11H17N5 — CID 59631623

IUPAC4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C11H17N5/c12-10-14-4-1-9(15-10)16-7-11(8-16)2-5-13-6-3-11/h1,4,13H,2-3,5-8H2,(H2,12,14,15)
InChIKeyOVZJPIXCDBHPSD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.25
Rot. Bonds1

About 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine

4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine (PubChem CID 59631623) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine
PubChem CID59631623
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C11H17N5/c12-10-14-4-1-9(15-10)16-7-11(8-16)2-5-13-6-3-11/h1,4,13H,2-3,5-8H2,(H2,12,14,15)
InChIKeyOVZJPIXCDBHPSD-UHFFFAOYSA-N
XLogP0.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine (CID 59631623) is 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine is Nc1nccc(N2CC3(CCNCC3)C2)n1.
What is the InChIKey of 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine?
The InChIKey is OVZJPIXCDBHPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c12-10-14-4-1-9(15-10)16-7-11(8-16)2-5-13-6-3-11/h1,4,13H,2-3,5-8H2,(H2,12,14,15).
What are the key properties of 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine?
4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 59631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).