2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid

C12H18N2O3 — CID 43145203

IUPAC2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)6-14-9(4)10(5-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFFDDWRMOOHPVSB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.14
Rot. Bonds4

About 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145203) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145203
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)6-14-9(4)10(5-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyFFDDWRMOOHPVSB-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227196
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65294024
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Diethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79219323
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933297
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid (CID 43145203) is 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is FFDDWRMOOHPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)6-14-9(4)10(5-11(15)16)8(3)13-12(14)17/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).