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

C16H19N5O2 — CID 124893561

IUPAC(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C16H19N5O2/c1-12-3-7-19-15(20-12)23-13-4-8-22-16(9-13)10-21(11-16)14-17-5-2-6-18-14/h2-3,5-7,13H,4,8-11H2,1H3/t13-/m1/s1
InChIKeyNCPLDYHFVINKGL-CYBMUJFWSA-N
MW313.36 g/mol
LogP1.39
Rot. Bonds3

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

(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893561) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893561
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C16H19N5O2/c1-12-3-7-19-15(20-12)23-13-4-8-22-16(9-13)10-21(11-16)14-17-5-2-6-18-14/h2-3,5-7,13H,4,8-11H2,1H3/t13-/m1/s1
InChIKeyNCPLDYHFVINKGL-CYBMUJFWSA-N
XLogP1.39
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

(3aS,7aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97422684
(8R)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783382
(8S)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783383
2-(5-Fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131648866
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-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133145122
8-(4-Methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155839340
8-(4-Methylpyrimidin-2-yl)oxy-2-(oxan-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155864156
9-(4-Methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
2-[4-[(2-methoxypyrimidin-4-yl)methylideneamino]cyclohexyl]oxy-N,N-dimethylethanamine
CID 139910526
4-[(3-Butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane
CID 163258090
Ethane;8-(4-methylpyrimidin-2-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 168251884

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 124893561) is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1.
What is the InChIKey of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is NCPLDYHFVINKGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-3-7-19-15(20-12)23-13-4-8-22-16(9-13)10-21(11-16)14-17-5-2-6-18-14/h2-3,5-7,13H,4,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 313.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).