(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

C17H21N5O — CID 125022560

IUPAC(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)C[C@H](Cc2cnccn2)CO3)nc1
InChIInChI=1S/C17H21N5O/c1-4-20-16(21-5-1)22-8-2-17(3-9-22)11-14(13-23-17)10-15-12-18-6-7-19-15/h1,4-7,12,14H,2-3,8-11,13H2/t14-/m0/s1
InChIKeyYRIQPGQTTLXVIY-AWEZNQCLSA-N
MW311.39 g/mol
LogP1.88
Rot. Bonds3

About (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 125022560) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID125022560
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)C[C@H](Cc2cnccn2)CO3)nc1
InChIInChI=1S/C17H21N5O/c1-4-20-16(21-5-1)22-8-2-17(3-9-22)11-14(13-23-17)10-15-12-18-6-7-19-15/h1,4-7,12,14H,2-3,8-11,13H2/t14-/m0/s1
InChIKeyYRIQPGQTTLXVIY-AWEZNQCLSA-N
XLogP1.88
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97476702
(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97474544
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124805168
N-methyl-N-(pyridin-3-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155828216
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine
CID 95815305
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 125022560) is (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is c1cnc(N2CCC3(CC2)C[C@H](Cc2cnccn2)CO3)nc1.
What is the InChIKey of (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YRIQPGQTTLXVIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-20-16(21-5-1)22-8-2-17(3-9-22)11-14(13-23-17)10-15-12-18-6-7-19-15/h1,4-7,12,14H,2-3,8-11,13H2/t14-/m0/s1.
What are the key properties of (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 311.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 125022560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).