3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid

C12H18N2O3 — CID 43145205

IUPAC3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid
SMILESCCCn1c(C)c(CCC(=O)O)c(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-4-7-14-9(3)10(5-6-11(15)16)8(2)13-12(14)17/h4-7H2,1-3H3,(H,15,16)
InChIKeyCTDZWMDXULBCFR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.29
Rot. Bonds5

About 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid

3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid (PubChem CID 43145205) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid
PubChem CID43145205
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid
SMILESCCCn1c(C)c(CCC(=O)O)c(C)nc1=O
InChIInChI=1S/C12H18N2O3/c1-4-7-14-9(3)10(5-6-11(15)16)8(2)13-12(14)17/h4-7H2,1-3H3,(H,15,16)
InChIKeyCTDZWMDXULBCFR-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid (CID 43145205) is 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid is CCCn1c(C)c(CCC(=O)O)c(C)nc1=O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid?
The InChIKey is CTDZWMDXULBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-7-14-9(3)10(5-6-11(15)16)8(2)13-12(14)17/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid?
3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1-propylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 43145205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).