2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid

C12H18N2O3 — CID 70304281

IUPAC2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid
SMILESCC(C)c1ncn(CC(=O)O)c(=O)c1C(C)C
InChIInChI=1S/C12H18N2O3/c1-7(2)10-11(8(3)4)13-6-14(12(10)17)5-9(15)16/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyJGIJQXAWQSRGIS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds4

About 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid

2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid (PubChem CID 70304281) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid
PubChem CID70304281
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid
SMILESCC(C)c1ncn(CC(=O)O)c(=O)c1C(C)C
InChIInChI=1S/C12H18N2O3/c1-7(2)10-11(8(3)4)13-6-14(12(10)17)5-9(15)16/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyJGIJQXAWQSRGIS-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid (CID 70304281) is 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid is CC(C)c1ncn(CC(=O)O)c(=O)c1C(C)C.
What is the InChIKey of 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid?
The InChIKey is JGIJQXAWQSRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)10-11(8(3)4)13-6-14(12(10)17)5-9(15)16/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid?
2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-4,5-di(propan-2-yl)pyrimidin-1-yl]acetic acid is sourced from PubChem (CID 70304281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).