9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 70723909

IUPAC9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ncc(CN2CCC3(CCC(=O)N(CCOC)C3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-3-17-20-12-16(13-21-17)14-22-8-6-19(7-9-22)5-4-18(24)23(15-19)10-11-25-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyPJWVVGLPQVMHNQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.89
Rot. Bonds6

About 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70723909) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70723909
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ncc(CN2CCC3(CCC(=O)N(CCOC)C3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-3-17-20-12-16(13-21-17)14-22-8-6-19(7-9-22)5-4-18(24)23(15-19)10-11-25-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyPJWVVGLPQVMHNQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70723909) is 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1ncc(CN2CCC3(CCC(=O)N(CCOC)C3)CC2)cn1.
What is the InChIKey of 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PJWVVGLPQVMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-17-20-12-16(13-21-17)14-22-8-6-19(7-9-22)5-4-18(24)23(15-19)10-11-25-2/h12-13H,3-11,14-15H2,1-2H3.
What are the key properties of 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70723909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).