3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid

C14H20N2O3 — CID 61269964

IUPAC3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(CC2CCCO2)nc(C)c1CCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-12(5-6-14(17)18)10(2)16-13(15-9)8-11-4-3-7-19-11/h11H,3-8H2,1-2H3,(H,17,18)
InChIKeyJZVAPMOJPCIGIH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds5

About 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid

3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid (PubChem CID 61269964) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
PubChem CID61269964
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(CC2CCCO2)nc(C)c1CCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-12(5-6-14(17)18)10(2)16-13(15-9)8-11-4-3-7-19-11/h11H,3-8H2,1-2H3,(H,17,18)
InChIKeyJZVAPMOJPCIGIH-UHFFFAOYSA-N
XLogP1.83
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-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-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 18160268
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
3-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115091042
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid (CID 61269964) is 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid is Cc1nc(CC2CCCO2)nc(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is JZVAPMOJPCIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-12(5-6-14(17)18)10(2)16-13(15-9)8-11-4-3-7-19-11/h11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 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-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 61269964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).