2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride

C6H7Cl2N3O2 — CID 134263966

IUPAC2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3O2.ClH/c7-4-1-5(10-3-9-4)8-2-6(11)12;/h1,3H,2H2,(H,11,12)(H,8,9,10);1H
InChIKeyDYGIDWSBROROPH-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.05
Rot. Bonds3

About 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride

2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride (PubChem CID 134263966) has the molecular formula C6H7Cl2N3O2 and a molecular weight of 224.05 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
PubChem CID134263966
Molecular FormulaC6H7Cl2N3O2
Molecular Weight224.05 g/mol
Exact Mass222.99
IUPAC Name2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3O2.ClH/c7-4-1-5(10-3-9-4)8-2-6(11)12;/h1,3H,2H2,(H,11,12)(H,8,9,10);1H
InChIKeyDYGIDWSBROROPH-UHFFFAOYSA-N
XLogP1.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
CID 82488057
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride (CID 134263966) is 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNc1cc(Cl)ncn1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride?
The InChIKey is DYGIDWSBROROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2.ClH/c7-4-1-5(10-3-9-4)8-2-6(11)12;/h1,3H,2H2,(H,11,12)(H,8,9,10);1H.
What are the key properties of 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride?
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride has a molecular weight of 224.05 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 134263966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).