3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

C17H22N6O — CID 97399491

IUPAC3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCN(c4cnccn4)CC3)C2)nc1
InChIInChI=1S/C17H22N6O/c1-4-20-16(21-5-1)23-10-11-24-14-17(13-23)2-8-22(9-3-17)15-12-18-6-7-19-15/h1,4-7,12H,2-3,8-11,13-14H2
InChIKeyFBJAKMKKAWBYSM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.39
Rot. Bonds2

About 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399491) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399491
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCN(c4cnccn4)CC3)C2)nc1
InChIInChI=1S/C17H22N6O/c1-4-20-16(21-5-1)23-10-11-24-14-17(13-23)2-8-22(9-3-17)15-12-18-6-7-19-15/h1,4-7,12H,2-3,8-11,13-14H2
InChIKeyFBJAKMKKAWBYSM-UHFFFAOYSA-N
XLogP1.39
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399491) is 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CCN(c4cnccn4)CC3)C2)nc1.
What is the InChIKey of 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is FBJAKMKKAWBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-20-16(21-5-1)23-10-11-24-14-17(13-23)2-8-22(9-3-17)15-12-18-6-7-19-15/h1,4-7,12H,2-3,8-11,13-14H2.
What are the key properties of 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 326.40 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).