2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid

C13H14N4O2 — CID 116895897

IUPAC2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(-c2ccccn2)nc(CC(N)C(=O)O)n1
InChIInChI=1S/C13H14N4O2/c1-8-6-11(10-4-2-3-5-15-10)17-12(16-8)7-9(14)13(18)19/h2-6,9H,7,14H2,1H3,(H,18,19)
InChIKeyZUUDOBYEWUOKRR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.80
Rot. Bonds4

About 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid

2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid (PubChem CID 116895897) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
PubChem CID116895897
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(-c2ccccn2)nc(CC(N)C(=O)O)n1
InChIInChI=1S/C13H14N4O2/c1-8-6-11(10-4-2-3-5-15-10)17-12(16-8)7-9(14)13(18)19/h2-6,9H,7,14H2,1H3,(H,18,19)
InChIKeyZUUDOBYEWUOKRR-UHFFFAOYSA-N
XLogP0.80
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116896346
2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
CID 174728149
3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116894218
2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116900037
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
CID 115044956
3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116969262
[1-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116896211
(2S)-2-amino-3-(2-benzoylpyrimidin-4-yl)propanoic acid
CID 10849719
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid (CID 116895897) is 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid is Cc1cc(-c2ccccn2)nc(CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is ZUUDOBYEWUOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-11(10-4-2-3-5-15-10)17-12(16-8)7-9(14)13(18)19/h2-6,9H,7,14H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid?
2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116895897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).