(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O4 — CID 97122851

IUPAC(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H26N4O4/c1-13-19-11-14(16(24)20-13)10-15(23)22-7-5-18(12-22)4-3-6-21(17(18)25)8-9-26-2/h11H,3-10,12H2,1-2H3,(H,19,20,24)/t18-/m0/s1
InChIKeyNCJAKKLNFYCYAY-SFHVURJKSA-N
MW362.43 g/mol
LogP0.11
Rot. Bonds5

About (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97122851) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97122851
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H26N4O4/c1-13-19-11-14(16(24)20-13)10-15(23)22-7-5-18(12-22)4-3-6-21(17(18)25)8-9-26-2/h11H,3-10,12H2,1-2H3,(H,19,20,24)/t18-/m0/s1
InChIKeyNCJAKKLNFYCYAY-SFHVURJKSA-N
XLogP0.11
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97122851) is (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@@]2(CCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)C1=O.
What is the InChIKey of (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NCJAKKLNFYCYAY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-19-11-14(16(24)20-13)10-15(23)22-7-5-18(12-22)4-3-6-21(17(18)25)8-9-26-2/h11H,3-10,12H2,1-2H3,(H,19,20,24)/t18-/m0/s1.
What are the key properties of (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.43 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97122851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).