pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone

C12H14N2O — CID 164649276

IUPACpyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone
SMILESO=C(c1cncnc1)C1CC2(CCC2)C1
InChIInChI=1S/C12H14N2O/c15-11(10-6-13-8-14-7-10)9-4-12(5-9)2-1-3-12/h6-9H,1-5H2
InChIKeyPWUHMMFUQMETPG-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.24
Rot. Bonds2

About pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone

pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone (PubChem CID 164649276) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Namepyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone
PubChem CID164649276
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Namepyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone
SMILESO=C(c1cncnc1)C1CC2(CCC2)C1
InChIInChI=1S/C12H14N2O/c15-11(10-6-13-8-14-7-10)9-4-12(5-9)2-1-3-12/h6-9H,1-5H2
InChIKeyPWUHMMFUQMETPG-UHFFFAOYSA-N
XLogP2.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone?
The IUPAC name of pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone (CID 164649276) is pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone is O=C(c1cncnc1)C1CC2(CCC2)C1.
What is the InChIKey of pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone?
The InChIKey is PWUHMMFUQMETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-11(10-6-13-8-14-7-10)9-4-12(5-9)2-1-3-12/h6-9H,1-5H2.
What are the key properties of pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone?
pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone has a molecular weight of 202.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 164649276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).