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

C15H23N3O3 — CID 43373664

IUPAC3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCN(C)CC2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-13(4-5-14(19)20)11(2)18(15(21)16-10)12-6-8-17(3)9-7-12/h12H,4-9H2,1-3H3,(H,19,20)
InChIKeyMYDKUFQMMJYRAN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.14
Rot. Bonds4

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

3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid (PubChem CID 43373664) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid
PubChem CID43373664
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCN(C)CC2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-13(4-5-14(19)20)11(2)18(15(21)16-10)12-6-8-17(3)9-7-12/h12H,4-9H2,1-3H3,(H,19,20)
InChIKeyMYDKUFQMMJYRAN-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227196
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933297
2-[1-(2,2-Difluoroethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113303969
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]propanoic acid
CID 115521539
3-(1,4,6-Trimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43145176
3-(4,6-Dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)propanoic acid
CID 43145178
2-(1-Butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145181
3-[4,6-Dimethyl-1-(3-methylbutyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43145182
2-(4,6-Dimethyl-2-oxo-1-pentylpyrimidin-5-yl)acetic acid
CID 43145184
3-(4,6-Dimethyl-2-oxo-1-pentan-2-ylpyrimidin-5-yl)propanoic acid
CID 43145186
2-(1-Butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145192

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid (CID 43373664) is 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(C2CCN(C)CC2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid?
The InChIKey is MYDKUFQMMJYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-13(4-5-14(19)20)11(2)18(15(21)16-10)12-6-8-17(3)9-7-12/h12H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-1-(1-methylpiperidin-4-yl)-2-oxopyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 43373664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).