2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid

C9H13N3O2 — CID 83619941

IUPAC2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1ncnc(NC(C)C(=O)O)c1C
InChIInChI=1S/C9H13N3O2/c1-5-6(2)10-4-11-8(5)12-7(3)9(13)14/h4,7H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyKASZNBNLPGKANZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.98
Rot. Bonds3

About 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid

2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 83619941) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
PubChem CID83619941
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1ncnc(NC(C)C(=O)O)c1C
InChIInChI=1S/C9H13N3O2/c1-5-6(2)10-4-11-8(5)12-7(3)9(13)14/h4,7H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyKASZNBNLPGKANZ-UHFFFAOYSA-N
XLogP0.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid (CID 83619941) is 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid is Cc1ncnc(NC(C)C(=O)O)c1C.
What is the InChIKey of 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is KASZNBNLPGKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-6(2)10-4-11-8(5)12-7(3)9(13)14/h4,7H,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 83619941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).