8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H22N4O4 — CID 70704956

IUPAC8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(=O)n1
InChIInChI=1S/C16H22N4O4/c1-11-8-12(2)20(14(22)17-11)9-13(21)19-6-4-16(5-7-19)10-18(3)15(23)24-16/h8H,4-7,9-10H2,1-3H3
InChIKeyAWSYFHLLIMPAPW-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.30
Rot. Bonds2

About 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70704956) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70704956
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(=O)n1
InChIInChI=1S/C16H22N4O4/c1-11-8-12(2)20(14(22)17-11)9-13(21)19-6-4-16(5-7-19)10-18(3)15(23)24-16/h8H,4-7,9-10H2,1-3H3
InChIKeyAWSYFHLLIMPAPW-UHFFFAOYSA-N
XLogP0.30
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70704956) is 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C)n(CC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(=O)n1.
What is the InChIKey of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AWSYFHLLIMPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-11-8-12(2)20(14(22)17-11)9-13(21)19-6-4-16(5-7-19)10-18(3)15(23)24-16/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 334.38 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70704956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).