2-amino-2-pyrimidin-4-ylacetic acid

C6H7N3O2 — CID 23132468

IUPAC2-amino-2-pyrimidin-4-ylacetic acid
SMILESNC(C(=O)O)c1ccncn1
InChIInChI=1S/C6H7N3O2/c7-5(6(10)11)4-1-2-8-3-9-4/h1-3,5H,7H2,(H,10,11)
InChIKeyTWJOKUJLKTWBMC-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.44
Rot. Bonds2

About 2-amino-2-pyrimidin-4-ylacetic acid

2-amino-2-pyrimidin-4-ylacetic acid (PubChem CID 23132468) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-amino-2-pyrimidin-4-ylacetic acid.

Molecular Properties

Compound Name2-amino-2-pyrimidin-4-ylacetic acid
PubChem CID23132468
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-amino-2-pyrimidin-4-ylacetic acid
SMILESNC(C(=O)O)c1ccncn1
InChIInChI=1S/C6H7N3O2/c7-5(6(10)11)4-1-2-8-3-9-4/h1-3,5H,7H2,(H,10,11)
InChIKeyTWJOKUJLKTWBMC-UHFFFAOYSA-N
XLogP-0.44
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Lathyrine
CID 166766
beta-(2-Amino-pyrimidin-4-yl)alanine
CID 146037259
4-Pyrimidinepropanoic acid, alpha,2-diamino-
CID 249894
Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
2-Amino-3-(pyrimidin-4-yl)propanoic acid dihydrochloride
CID 121553828
3,3-Dimethyl-2-(pyrimidin-4-yl)butanoic acid
CID 155822370
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(2S)-2-amino-3-(pyrimidin-4-yl)propanoic acid dihydrochloride
CID 165993442
3-(2-Aminopyrimidin-4-yl)-2-azaniumylpropanoate
CID 25203094
(Pyrimidin-4-yl)acetic acid
CID 21486925
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
CID 57010106
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyrimidin-4-ylacetic acid?
The IUPAC name of 2-amino-2-pyrimidin-4-ylacetic acid (CID 23132468) is 2-amino-2-pyrimidin-4-ylacetic acid.
What is the SMILES notation for 2-amino-2-pyrimidin-4-ylacetic acid?
The canonical SMILES for 2-amino-2-pyrimidin-4-ylacetic acid is NC(C(=O)O)c1ccncn1.
What is the InChIKey of 2-amino-2-pyrimidin-4-ylacetic acid?
The InChIKey is TWJOKUJLKTWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-5(6(10)11)4-1-2-8-3-9-4/h1-3,5H,7H2,(H,10,11).
What are the key properties of 2-amino-2-pyrimidin-4-ylacetic acid?
2-amino-2-pyrimidin-4-ylacetic acid has a molecular weight of 153.14 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyrimidin-4-ylacetic acid is sourced from PubChem (CID 23132468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).