2-pyrimidin-2-yl-2-azaspiro[3.3]heptane

C10H13N3 — CID 118413240

IUPAC2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
SMILESc1cnc(N2CC3(CCC3)C2)nc1
InChIInChI=1S/C10H13N3/c1-3-10(4-1)7-13(8-10)9-11-5-2-6-12-9/h2,5-6H,1,3-4,7-8H2
InChIKeyDSUIEMVQBJNBRJ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.47
Rot. Bonds1

About 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane

2-pyrimidin-2-yl-2-azaspiro[3.3]heptane (PubChem CID 118413240) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
PubChem CID118413240
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
SMILESc1cnc(N2CC3(CCC3)C2)nc1
InChIInChI=1S/C10H13N3/c1-3-10(4-1)7-13(8-10)9-11-5-2-6-12-9/h2,5-6H,1,3-4,7-8H2
InChIKeyDSUIEMVQBJNBRJ-UHFFFAOYSA-N
XLogP1.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane (CID 118413240) is 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane is c1cnc(N2CC3(CCC3)C2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is DSUIEMVQBJNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-10(4-1)7-13(8-10)9-11-5-2-6-12-9/h2,5-6H,1,3-4,7-8H2.
What are the key properties of 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane?
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 175.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118413240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).