2-amino-2-(2-chloropyrimidin-4-yl)acetic acid

C6H6ClN3O2 — CID 134264029

IUPAC2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
SMILESNC(C(=O)O)c1ccnc(Cl)n1
InChIInChI=1S/C6H6ClN3O2/c7-6-9-2-1-3(10-6)4(8)5(11)12/h1-2,4H,8H2,(H,11,12)
InChIKeyYCEMHAYUPADRBU-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.21
Rot. Bonds2

About 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid

2-amino-2-(2-chloropyrimidin-4-yl)acetic acid (PubChem CID 134264029) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
PubChem CID134264029
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
SMILESNC(C(=O)O)c1ccnc(Cl)n1
InChIInChI=1S/C6H6ClN3O2/c7-6-9-2-1-3(10-6)4(8)5(11)12/h1-2,4H,8H2,(H,11,12)
InChIKeyYCEMHAYUPADRBU-UHFFFAOYSA-N
XLogP0.21
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 84694364
(1R)-1-(2-chloropyrimidin-4-yl)ethanol
CID 124566529
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid
CID 83902385
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-bromo-1-(2-chlorophenyl)-2-(2-chloropyrimidin-4-yl)ethanone
CID 164588867
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
4-butan-2-yl-2-chloropyrimidine
CID 44613886
2-bromo-2-(2-chloropyrimidin-4-yl)-1-(3,4-dichlorophenyl)ethanone
CID 164588869
2-amino-2-isoquinolin-3-ylacetic acid
CID 84776704
[(2-chloropyrimidin-4-yl)-piperidin-4-ylmethyl]carbamic acid
CID 22052475
2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
CID 105439289

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid (CID 134264029) is 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid is NC(C(=O)O)c1ccnc(Cl)n1.
What is the InChIKey of 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid?
The InChIKey is YCEMHAYUPADRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-6-9-2-1-3(10-6)4(8)5(11)12/h1-2,4H,8H2,(H,11,12).
What are the key properties of 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid?
2-amino-2-(2-chloropyrimidin-4-yl)acetic acid has a molecular weight of 187.59 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloropyrimidin-4-yl)acetic acid is sourced from PubChem (CID 134264029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).