7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C15H17N5O2 — CID 131652540

IUPAC7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(OC2COC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-4-16-13(17-5-1)20-8-3-15(11-20)9-12(10-21-15)22-14-18-6-2-7-19-14/h1-2,4-7,12H,3,8-11H2
InChIKeyHDHBSSHPDWJSIU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.08
Rot. Bonds3

About 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 131652540) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID131652540
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(OC2COC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-4-16-13(17-5-1)20-8-3-15(11-20)9-12(10-21-15)22-14-18-6-2-7-19-14/h1-2,4-7,12H,3,8-11H2
InChIKeyHDHBSSHPDWJSIU-UHFFFAOYSA-N
XLogP1.08
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,6aS)-3-(oxan-4-ylmethoxy)-1-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97386615
3-Ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118740760
N,N-dimethyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118740942
N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118742870
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95400903
7-(5-Fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071081
(3R,5R)-7-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394579
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394580
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394657
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394658
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394673

Frequently Asked Questions

What is the IUPAC name of 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 131652540) is 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1cnc(OC2COC3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is HDHBSSHPDWJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-4-16-13(17-5-1)20-8-3-15(11-20)9-12(10-21-15)22-14-18-6-2-7-19-14/h1-2,4-7,12H,3,8-11H2.
What are the key properties of 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 299.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131652540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).