2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid

C13H20N2O2 — CID 116894263

IUPAC2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(C(C)C)nc(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C13H20N2O2/c1-8(2)10-6-9(3)14-11(15-10)7-13(4,5)12(16)17/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyNCBPBPYIURTRMI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.56
Rot. Bonds4

About 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid

2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid (PubChem CID 116894263) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
PubChem CID116894263
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(C(C)C)nc(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C13H20N2O2/c1-8(2)10-6-9(3)14-11(15-10)7-13(4,5)12(16)17/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyNCBPBPYIURTRMI-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethanol
CID 116893893
4,4-dimethyl-2-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]pentanoic acid
CID 107475049
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
CID 113491416
methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
CID 116895269
3-[2,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117411066
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylbutanoic acid
CID 65248075
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid
CID 83820785
2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
CID 116878922
2,2-dimethyl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117407398

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid (CID 116894263) is 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid is Cc1cc(C(C)C)nc(CC(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is NCBPBPYIURTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)10-6-9(3)14-11(15-10)7-13(4,5)12(16)17/h6,8H,7H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid?
2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116894263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).