2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

C16H24N2O3 — CID 43327695

IUPAC2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C2CCCCCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-11-14(10-15(19)20)12(2)18(16(21)17-11)13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20)
InChIKeyVKRLCJBUTREOLP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds3

About 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43327695) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43327695
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C2CCCCCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-11-14(10-15(19)20)12(2)18(16(21)17-11)13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20)
InChIKeyVKRLCJBUTREOLP-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43327695) is 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is Cc1nc(=O)n(C2CCCCCCC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is VKRLCJBUTREOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-14(10-15(19)20)12(2)18(16(21)17-11)13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43327695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).