3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid

C13H21N3O3 — CID 43327685

IUPAC3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CCN(C)C)c(C)c1CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(5-6-12(17)18)10(2)16(13(19)14-9)8-7-15(3)4/h5-8H2,1-4H3,(H,17,18)
InChIKeyBPECDTOSUXDCJW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.44
Rot. Bonds6

About 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid

3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid (PubChem CID 43327685) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
PubChem CID43327685
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CCN(C)C)c(C)c1CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(5-6-12(17)18)10(2)16(13(19)14-9)8-7-15(3)4/h5-8H2,1-4H3,(H,17,18)
InChIKeyBPECDTOSUXDCJW-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid (CID 43327685) is 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(CCN(C)C)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The InChIKey is BPECDTOSUXDCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-11(5-6-12(17)18)10(2)16(13(19)14-9)8-7-15(3)4/h5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 43327685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).