2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid

C14H15N3O2 — CID 116900064

IUPAC2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid
SMILESCC(C)(Cc1nccc(-c2ccncc2)n1)C(=O)O
InChIInChI=1S/C14H15N3O2/c1-14(2,13(18)19)9-12-16-8-5-11(17-12)10-3-6-15-7-4-10/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyCVCQMJJINOJTRN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds4

About 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid

2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid (PubChem CID 116900064) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid
PubChem CID116900064
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid
SMILESCC(C)(Cc1nccc(-c2ccncc2)n1)C(=O)O
InChIInChI=1S/C14H15N3O2/c1-14(2,13(18)19)9-12-16-8-5-11(17-12)10-3-6-15-7-4-10/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyCVCQMJJINOJTRN-UHFFFAOYSA-N
XLogP2.19
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropanoic acid
CID 116900061
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116898394
1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666280
3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116898418
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
3-isoquinolin-1-yl-2,2-dimethylpropanoic acid
CID 116995233
2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83859387
3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
CID 156541095
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
CID 116898451
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
CID 116901555
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid (CID 116900064) is 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid is CC(C)(Cc1nccc(-c2ccncc2)n1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is CVCQMJJINOJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(2,13(18)19)9-12-16-8-5-11(17-12)10-3-6-15-7-4-10/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).