pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C18H22N6O — CID 3234174

IUPACpyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H22N6O/c25-16(15-14-19-8-9-20-15)23-10-2-18(3-11-23)4-12-24(13-5-18)17-21-6-1-7-22-17/h1,6-9,14H,2-5,10-13H2
InChIKeyQSBBZXNSQLDODZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds2

About pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 3234174) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID3234174
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Namepyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H22N6O/c25-16(15-14-19-8-9-20-15)23-10-2-18(3-11-23)4-12-24(13-5-18)17-21-6-1-7-22-17/h1,6-9,14H,2-5,10-13H2
InChIKeyQSBBZXNSQLDODZ-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 3234174) is pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is QSBBZXNSQLDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-16(15-14-19-8-9-20-15)23-10-2-18(3-11-23)4-12-24(13-5-18)17-21-6-1-7-22-17/h1,6-9,14H,2-5,10-13H2.
What are the key properties of pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 3234174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).