2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid

C16H26N2O3 — CID 106330579

IUPAC2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCCc1nc(=O)n(C(C)(CC)CC)c(CC)c1CC(=O)O
InChIInChI=1S/C16H26N2O3/c1-6-12-11(10-14(19)20)13(7-2)18(15(21)17-12)16(5,8-3)9-4/h6-10H2,1-5H3,(H,19,20)
InChIKeyFIKHDSXNPQCIJV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.53
Rot. Bonds7

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

2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 106330579) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid
PubChem CID106330579
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCCc1nc(=O)n(C(C)(CC)CC)c(CC)c1CC(=O)O
InChIInChI=1S/C16H26N2O3/c1-6-12-11(10-14(19)20)13(7-2)18(15(21)17-12)16(5,8-3)9-4/h6-10H2,1-5H3,(H,19,20)
InChIKeyFIKHDSXNPQCIJV-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4,6-Dimethyl-2-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyrimidin-5-yl]propanoic acid
CID 106217031
2-(1-Tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145174
3-(1,4,6-Trimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43145176
3-(4,6-Dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)propanoic acid
CID 43145178
3-[4,6-Dimethyl-1-(3-methylbutyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43145182
3-(4,6-Dimethyl-2-oxo-1-pentan-2-ylpyrimidin-5-yl)propanoic acid
CID 43145186
3-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43145198
3-[4,6-Dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43145202
3-(4,6-Dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid
CID 43145205
2-[4,6-Dimethyl-1-(2-methylbutan-2-yl)-2-oxopyrimidin-5-yl]acetic acid
CID 43145207
3-(1-Tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43327681
3-(1-Butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43327690

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid (CID 106330579) is 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid is CCc1nc(=O)n(C(C)(CC)CC)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is FIKHDSXNPQCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-12-11(10-14(19)20)13(7-2)18(15(21)17-12)16(5,8-3)9-4/h6-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 294.39 g/mol, XLogP of 2.53, 7 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-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 106330579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).