2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen

C15H25N3O — CID 156711710

IUPAC2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen
SMILESCCC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O.[H][H]
InChIInChI=1S/C15H23N3O.H2/c1-3-11(2)12-8-16-14(17-13(12)19)18-9-15(10-18)6-4-5-7-15;/h8,11H,3-7,9-10H2,1-2H3,(H,16,17,19);1H
InChIKeyIBXDGNYFVQVMAM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds3

About 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen

2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen (PubChem CID 156711710) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen
PubChem CID156711710
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen
SMILESCCC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O.[H][H]
InChIInChI=1S/C15H23N3O.H2/c1-3-11(2)12-8-16-14(17-13(12)19)18-9-15(10-18)6-4-5-7-15;/h8,11H,3-7,9-10H2,1-2H3,(H,16,17,19);1H
InChIKeyIBXDGNYFVQVMAM-UHFFFAOYSA-N
XLogP2.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen (CID 156711710) is 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen is CCC(C)c1cnc(N2CC3(CCCC3)C2)[nH]c1=O.[H][H].
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen?
The InChIKey is IBXDGNYFVQVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.H2/c1-3-11(2)12-8-16-14(17-13(12)19)18-9-15(10-18)6-4-5-7-15;/h8,11H,3-7,9-10H2,1-2H3,(H,16,17,19);1H.
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen?
2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen has a molecular weight of 263.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one;molecular hydrogen is sourced from PubChem (CID 156711710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).