(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

C16H19N5O2 — CID 97489007

IUPAC(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cnc(O[C@@H]2CO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C16H19N5O2/c1-3-16(12-21(8-1)14-10-17-6-7-18-14)9-13(11-22-16)23-15-19-4-2-5-20-15/h2,4-7,10,13H,1,3,8-9,11-12H2/t13-,16-/m0/s1
InChIKeyCYZBKWQGAJEBHU-BBRMVZONSA-N
MW313.36 g/mol
LogP1.47
Rot. Bonds3

About (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97489007) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97489007
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESc1cnc(O[C@@H]2CO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C16H19N5O2/c1-3-16(12-21(8-1)14-10-17-6-7-18-14)9-13(11-22-16)23-15-19-4-2-5-20-15/h2,4-7,10,13H,1,3,8-9,11-12H2/t13-,16-/m0/s1
InChIKeyCYZBKWQGAJEBHU-BBRMVZONSA-N
XLogP1.47
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394443
(3R,5R)-7-pyrazin-2-yl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394379
9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134074991
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
(3R,5R)-9-cyclopropylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489058
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
(3S,5S)-7-methylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124521699
7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134076700
1,2-oxazol-5-yl-[(3R,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395407
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 97489007) is (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is c1cnc(O[C@@H]2CO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1.
What is the InChIKey of (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is CYZBKWQGAJEBHU-BBRMVZONSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-16(12-21(8-1)14-10-17-6-7-18-14)9-13(11-22-16)23-15-19-4-2-5-20-15/h2,4-7,10,13H,1,3,8-9,11-12H2/t13-,16-/m0/s1.
What are the key properties of (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 313.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97489007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).