(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

C18H23N5O2 — CID 124893259

IUPAC(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H23N5O2/c1-14-3-8-21-17(22-14)24-9-4-15-5-10-25-18(11-15)12-23(13-18)16-19-6-2-7-20-16/h2-3,6-8,15H,4-5,9-13H2,1H3/t15-/m1/s1
InChIKeyCTDKHFSEUNVMBX-OAHLLOKOSA-N
MW341.42 g/mol
LogP2.03
Rot. Bonds5

About (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893259) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893259
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H23N5O2/c1-14-3-8-21-17(22-14)24-9-4-15-5-10-25-18(11-15)12-23(13-18)16-19-6-2-7-20-16/h2-3,6-8,15H,4-5,9-13H2,1H3/t15-/m1/s1
InChIKeyCTDKHFSEUNVMBX-OAHLLOKOSA-N
XLogP2.03
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133136954
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133141620
2-(5-Fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133145122
8-(4-Methylpyrimidin-2-yl)oxy-2-(oxan-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155864156
4-Methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine
CID 20773443
9-(4-Methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
Ethane;9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 168251969
(3S)-2-[2-[2-(azetidin-1-yl)pyrimidin-4-yl]propyl]-3-methyl-4-(4-propan-2-ylpyrimidin-2-yl)morpholine
CID 170175457
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124232513
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124232514
(8S)-N,N-dimethyl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 124234976
(8R)-N,N-dimethyl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 124234977

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 124893259) is (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1.
What is the InChIKey of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is CTDKHFSEUNVMBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-3-8-21-17(22-14)24-9-4-15-5-10-25-18(11-15)12-23(13-18)16-19-6-2-7-20-16/h2-3,6-8,15H,4-5,9-13H2,1H3/t15-/m1/s1.
What are the key properties of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 341.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).