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

C9H13ClN4O2 — CID 120965014

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncnc(N)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-2-3-14(4-6(15)16)9-7(10)8(11)12-5-13-9/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13)
InChIKeyVXKUPCXFYNEJOU-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.01
Rot. Bonds5

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

2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 120965014) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid
PubChem CID120965014
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncnc(N)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-2-3-14(4-6(15)16)9-7(10)8(11)12-5-13-9/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13)
InChIKeyVXKUPCXFYNEJOU-UHFFFAOYSA-N
XLogP1.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid
CID 120965324
2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-propylamino]acetic acid
CID 122051486
1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 106812063
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]acetic acid
CID 61006901
2-[(5-iodoquinazolin-4-yl)-propylamino]acetic acid
CID 122051384
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 106811767
2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
CID 106534820
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid (CID 120965014) is 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is VXKUPCXFYNEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-2-3-14(4-6(15)16)9-7(10)8(11)12-5-13-9/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid?
2-[(6-amino-5-chloropyrimidin-4-yl)-propylamino]acetic acid has a molecular weight of 244.68 g/mol, XLogP of 1.01, 5 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)-propylamino]acetic acid is sourced from PubChem (CID 120965014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).