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

C16H19N5O3 — CID 124797575

IUPAC(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-7-13(19-11-20-14)21-9-16(10-21)8-12(3-6-23-16)24-15-17-4-2-5-18-15/h2,4-5,7,11-12H,3,6,8-10H2,1H3/t12-/m1/s1
InChIKeyQSMVBPGEPDUIMF-GFCCVEGCSA-N
MW329.36 g/mol
LogP1.09
Rot. Bonds4

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

(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124797575) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124797575
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-7-13(19-11-20-14)21-9-16(10-21)8-12(3-6-23-16)24-15-17-4-2-5-18-15/h2,4-5,7,11-12H,3,6,8-10H2,1H3/t12-/m1/s1
InChIKeyQSMVBPGEPDUIMF-GFCCVEGCSA-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

rel-(1R,3S)-3-[2-(dimethylamino)ethoxy]-7-(4-methoxy-2-pyrimidinyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 72857571
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
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
4-[6-(Oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine
CID 69046040
(3R,5R)-7-(6-methoxypyrimidin-4-yl)-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394697
9-(6-Methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450973
N-[[(3S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 97460049
(5R,7R)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
CID 97475458
(5R,7S)-2-(6-methoxypyrimidin-4-yl)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
CID 97477332
(3S)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488265
(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488268

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124797575) is (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)ncn1.
What is the InChIKey of (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is QSMVBPGEPDUIMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-22-14-7-13(19-11-20-14)21-9-16(10-21)8-12(3-6-23-16)24-15-17-4-2-5-18-15/h2,4-5,7,11-12H,3,6,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-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 (8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124797575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).