(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C16H19N5O3 — CID 124793928

IUPAC(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-6-13(19-11-20-14)21-9-16(10-21)7-12(2-5-23-16)24-15-8-17-3-4-18-15/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyBVDUDVBFXZPNTI-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.09
Rot. Bonds4

About (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124793928) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124793928
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-6-13(19-11-20-14)21-9-16(10-21)7-12(2-5-23-16)24-15-8-17-3-4-18-15/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyBVDUDVBFXZPNTI-LBPRGKRZSA-N
XLogP1.09
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-Methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155851968
2-(6-Methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155863747
2-(6-Methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155863762
2-(6-Methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865541
(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124793927
(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124793963
(8S)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124793964
(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797575
(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797576
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799362
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799364
N,N-dimethyl-6-[(8S)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816204

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124793928) is (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)ncn1.
What is the InChIKey of (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is BVDUDVBFXZPNTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-22-14-6-13(19-11-20-14)21-9-16(10-21)7-12(2-5-23-16)24-15-8-17-3-4-18-15/h3-4,6,8,11-12H,2,5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 329.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124793928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).