2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid

C13H13N3O2 — CID 116900037

IUPAC2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
SMILESCC(Cc1nccc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C13H13N3O2/c1-9(13(17)18)8-12-15-7-5-11(16-12)10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyDJDNPVWVCBBLNG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.80
Rot. Bonds4

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

2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid (PubChem CID 116900037) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
PubChem CID116900037
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
SMILESCC(Cc1nccc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C13H13N3O2/c1-9(13(17)18)8-12-15-7-5-11(16-12)10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyDJDNPVWVCBBLNG-UHFFFAOYSA-N
XLogP1.80
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
(4-pyridin-2-ylpyrimidin-2-yl)methanol
CID 116899498
2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine
CID 157056170
4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine
CID 116898349
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116895897
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
pyrrolo[3,2-b]azepine
CID 66934182
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid (CID 116900037) is 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid is CC(Cc1nccc(-c2ccccn2)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is DJDNPVWVCBBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(13(17)18)8-12-15-7-5-11(16-12)10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116900037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).