8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H25N5O3 — CID 91788546

IUPAC8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC3(CC2)CNC(=O)O3)n1
InChIInChI=1S/C17H25N5O3/c1-24-9-14-20-13(11-6-12(18)7-11)8-15(21-14)22-4-2-17(3-5-22)10-19-16(23)25-17/h8,11-12H,2-7,9-10,18H2,1H3,(H,19,23)
InChIKeyJODHOZFFSMVQKE-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.91
Rot. Bonds4

About 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 91788546) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID91788546
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC3(CC2)CNC(=O)O3)n1
InChIInChI=1S/C17H25N5O3/c1-24-9-14-20-13(11-6-12(18)7-11)8-15(21-14)22-4-2-17(3-5-22)10-19-16(23)25-17/h8,11-12H,2-7,9-10,18H2,1H3,(H,19,23)
InChIKeyJODHOZFFSMVQKE-UHFFFAOYSA-N
XLogP0.91
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 91788546) is 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCc1nc(C2CC(N)C2)cc(N2CCC3(CC2)CNC(=O)O3)n1.
What is the InChIKey of 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JODHOZFFSMVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-24-9-14-20-13(11-6-12(18)7-11)8-15(21-14)22-4-2-17(3-5-22)10-19-16(23)25-17/h8,11-12H,2-7,9-10,18H2,1H3,(H,19,23).
What are the key properties of 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 91788546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).