(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C15H17N5O2 — CID 97394443

IUPAC(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(O[C@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)22-12-8-15(21-10-12)2-7-20(11-15)13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-,15+/m1/s1
InChIKeyXSNRJTBHZISEJW-DOMZBBRYSA-N
MW299.33 g/mol
LogP1.08
Rot. Bonds3

About (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97394443) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97394443
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(O[C@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)22-12-8-15(21-10-12)2-7-20(11-15)13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-,15+/m1/s1
InChIKeyXSNRJTBHZISEJW-DOMZBBRYSA-N
XLogP1.08
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489007
(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
(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
(3S,5S)-7-(oxan-4-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520570
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
(3R,5R)-9-cyclopropylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489058
3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155856398

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 97394443) is (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1cnc(O[C@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)nc1.
What is the InChIKey of (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XSNRJTBHZISEJW-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)22-12-8-15(21-10-12)2-7-20(11-15)13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-,15+/m1/s1.
What are the key properties of (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 299.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97394443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).