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

C12H18N2O3 — CID 43145174

IUPAC2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C(C)(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-7-9(6-10(15)16)8(2)14(11(17)13-7)12(3,4)5/h6H2,1-5H3,(H,15,16)
InChIKeyJLGOLXQTUVZZEH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.24
Rot. Bonds2

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

2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43145174) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43145174
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C(C)(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-7-9(6-10(15)16)8(2)14(11(17)13-7)12(3,4)5/h6H2,1-5H3,(H,15,16)
InChIKeyJLGOLXQTUVZZEH-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43145174) is 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is Cc1nc(=O)n(C(C)(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is JLGOLXQTUVZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-9(6-10(15)16)8(2)14(11(17)13-7)12(3,4)5/h6H2,1-5H3,(H,15,16).
What are the key properties of 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43145174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).