2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid

C7H8ClN3O2 — CID 119031642

IUPAC2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-11(4-6(12)13)5-2-3-9-7(8)10-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOBEVHIANEQTNHI-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.65
Rot. Bonds3

About 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid

2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 119031642) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid
PubChem CID119031642
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-11(4-6(12)13)5-2-3-9-7(8)10-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOBEVHIANEQTNHI-UHFFFAOYSA-N
XLogP0.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-2-carboxylic acid
CID 12626245
2-Pyrimidinecarboxylic acid, methyl ester
CID 3613871
2-Pyrimidineacetic Acid
CID 12367098
2-((Pyrimidin-2-yl)amino)acetic acid
CID 16228214
4-Aminopyrimidine-2-carboxylic acid
CID 22172594
4-Chloropyrimidine-2-carboxylic acid
CID 46911845
Methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
2-Pyrimidinecarboxylic acid, ethyl ester
CID 13360715
2-Chloro-N-ethyl-N-methyl-4-pyrimidinamine
CID 12679395
Methyl 4-aminopyrimidine-2-carboxylate
CID 13060221
4-Bromopyrimidine-2-carboxylic acid
CID 22710448
Methyl 4-(methylamino)pyrimidine-2-carboxylate
CID 66284806

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid (CID 119031642) is 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is OBEVHIANEQTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-11(4-6(12)13)5-2-3-9-7(8)10-5/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid?
2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 201.61 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 119031642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).