pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C16H18N6O — CID 3234891

IUPACpyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H18N6O/c23-14(13-10-17-6-7-18-13)21-8-2-16(3-9-21)11-22(12-16)15-19-4-1-5-20-15/h1,4-7,10H,2-3,8-9,11-12H2
InChIKeyLNUVSWASBNIHBU-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.01
Rot. Bonds2

About pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3234891) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3234891
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Namepyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C16H18N6O/c23-14(13-10-17-6-7-18-13)21-8-2-16(3-9-21)11-22(12-16)15-19-4-1-5-20-15/h1,4-7,10H,2-3,8-9,11-12H2
InChIKeyLNUVSWASBNIHBU-UHFFFAOYSA-N
XLogP1.01
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3234891) is pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is O=C(c1cnccn1)N1CCC2(CC1)CN(c1ncccn1)C2.
What is the InChIKey of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is LNUVSWASBNIHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-14(13-10-17-6-7-18-13)21-8-2-16(3-9-21)11-22(12-16)15-19-4-1-5-20-15/h1,4-7,10H,2-3,8-9,11-12H2.
What are the key properties of pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 310.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3234891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).