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

C13H18N4O2 — CID 131850054

IUPAC8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C)nc(N2CCC3(CC2)NC(=O)CO3)n1
InChIInChI=1S/C13H18N4O2/c1-9-7-10(2)15-12(14-9)17-5-3-13(4-6-17)16-11(18)8-19-13/h7H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyRUWWVFIFZFDJTC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.54
Rot. Bonds1

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

8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 131850054) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID131850054
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C)nc(N2CCC3(CC2)NC(=O)CO3)n1
InChIInChI=1S/C13H18N4O2/c1-9-7-10(2)15-12(14-9)17-5-3-13(4-6-17)16-11(18)8-19-13/h7H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyRUWWVFIFZFDJTC-UHFFFAOYSA-N
XLogP0.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829225
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CID 139598472
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 84588620
9-(4,6-dimethylpyrimidin-2-yl)-4-[(5-phenyl-2H-triazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 57406256
8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910906
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774696
8-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910200
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 131850054) is 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is Cc1cc(C)nc(N2CCC3(CC2)NC(=O)CO3)n1.
What is the InChIKey of 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RUWWVFIFZFDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-7-10(2)15-12(14-9)17-5-3-13(4-6-17)16-11(18)8-19-13/h7H,3-6,8H2,1-2H3,(H,16,18).
What are the key properties of 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131850054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).