2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid

C16H26N2O3 — CID 79219975

IUPAC2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCCC(CC)n1c(CC)c(CC(=O)O)c(CC)nc1=O
InChIInChI=1S/C16H26N2O3/c1-5-9-11(6-2)18-14(8-4)12(10-15(19)20)13(7-3)17-16(18)21/h11H,5-10H2,1-4H3,(H,19,20)
InChIKeyFNIBKHQRDWJOHF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.75
Rot. Bonds8

About 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid

2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 79219975) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID79219975
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCCC(CC)n1c(CC)c(CC(=O)O)c(CC)nc1=O
InChIInChI=1S/C16H26N2O3/c1-5-9-11(6-2)18-14(8-4)12(10-15(19)20)13(7-3)17-16(18)21/h11H,5-10H2,1-4H3,(H,19,20)
InChIKeyFNIBKHQRDWJOHF-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid (CID 79219975) is 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid is CCCC(CC)n1c(CC)c(CC(=O)O)c(CC)nc1=O.
What is the InChIKey of 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is FNIBKHQRDWJOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-11(6-2)18-14(8-4)12(10-15(19)20)13(7-3)17-16(18)21/h11H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid?
2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 294.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-1-hexan-3-yl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 79219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).