(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C15H24N4O — CID 95713598

IUPAC(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCC[C@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H24N4O/c1-20-11-10-18-8-2-4-15(12-18)5-9-19(13-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-13H2,1H3/t15-/m0/s1
InChIKeyWYRRJGWQQNGEAP-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.42
Rot. Bonds4

About (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 95713598) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID95713598
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCC[C@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H24N4O/c1-20-11-10-18-8-2-4-15(12-18)5-9-19(13-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-13H2,1H3/t15-/m0/s1
InChIKeyWYRRJGWQQNGEAP-HNNXBMFYSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 95713598) is (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is COCCN1CCC[C@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is WYRRJGWQQNGEAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-11-10-18-8-2-4-15(12-18)5-9-19(13-15)14-16-6-3-7-17-14/h3,6-7H,2,4-5,8-13H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 276.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95713598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).