(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

C14H20N4O4 — CID 164629364

IUPAC(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESCOCc1nc(OC)cc(N2CC3(C[C@H](O)CNC3=O)C2)n1
InChIInChI=1S/C14H20N4O4/c1-21-6-10-16-11(3-12(17-10)22-2)18-7-14(8-18)4-9(19)5-15-13(14)20/h3,9,19H,4-8H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeyIBSRRYYMEYBRQJ-VIFPVBQESA-N
MW308.34 g/mol
LogP-0.68
Rot. Bonds4

About (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 164629364) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID164629364
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESCOCc1nc(OC)cc(N2CC3(C[C@H](O)CNC3=O)C2)n1
InChIInChI=1S/C14H20N4O4/c1-21-6-10-16-11(3-12(17-10)22-2)18-7-14(8-18)4-9(19)5-15-13(14)20/h3,9,19H,4-8H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeyIBSRRYYMEYBRQJ-VIFPVBQESA-N
XLogP-0.68
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (CID 164629364) is (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is COCc1nc(OC)cc(N2CC3(C[C@H](O)CNC3=O)C2)n1.
What is the InChIKey of (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is IBSRRYYMEYBRQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O4/c1-21-6-10-16-11(3-12(17-10)22-2)18-7-14(8-18)4-9(19)5-15-13(14)20/h3,9,19H,4-8H2,1-2H3,(H,15,20)/t9-/m0/s1.
What are the key properties of (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
(8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 308.34 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-hydroxy-2-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 164629364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).