9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H23N5O2 — CID 72873136

IUPAC9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nc(N)nc(N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C15H23N5O2/c1-4-11-10(2)12(18-13(16)17-11)20-7-5-6-15(9-20)8-19(3)14(21)22-15/h4-9H2,1-3H3,(H2,16,17,18)
InChIKeyOUWQXLBAKLXPBC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.35
Rot. Bonds2

About 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 72873136) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID72873136
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nc(N)nc(N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C15H23N5O2/c1-4-11-10(2)12(18-13(16)17-11)20-7-5-6-15(9-20)8-19(3)14(21)22-15/h4-9H2,1-3H3,(H2,16,17,18)
InChIKeyOUWQXLBAKLXPBC-UHFFFAOYSA-N
XLogP1.35
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 72873136) is 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1nc(N)nc(N2CCCC3(CN(C)C(=O)O3)C2)c1C.
What is the InChIKey of 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is OUWQXLBAKLXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-11-10(2)12(18-13(16)17-11)20-7-5-6-15(9-20)8-19(3)14(21)22-15/h4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72873136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).