2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid

C7H9ClN4O2 — CID 120965324

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncnc(N)c1Cl
InChIInChI=1S/C7H9ClN4O2/c1-12(2-4(13)14)7-5(8)6(9)10-3-11-7/h3H,2H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeyOENGYUOQPKESFL-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.23
Rot. Bonds3

About 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid

2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 120965324) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid
PubChem CID120965324
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncnc(N)c1Cl
InChIInChI=1S/C7H9ClN4O2/c1-12(2-4(13)14)7-5(8)6(9)10-3-11-7/h3H,2H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeyOENGYUOQPKESFL-UHFFFAOYSA-N
XLogP0.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid (CID 120965324) is 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is OENGYUOQPKESFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-12(2-4(13)14)7-5(8)6(9)10-3-11-7/h3H,2H2,1H3,(H,13,14)(H2,9,10,11).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid?
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 216.63 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 120965324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).