2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid

C6H6ClN3O2S — CID 94830344

IUPAC2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
SMILESNc1nc(Cl)cc(SCC(=O)O)n1
InChIInChI=1S/C6H6ClN3O2S/c7-3-1-4(10-6(8)9-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,8,9,10)
InChIKeyUFWGDZQPHYRELB-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid

2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid (PubChem CID 94830344) has the molecular formula C6H6ClN3O2S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
PubChem CID94830344
Molecular FormulaC6H6ClN3O2S
Molecular Weight219.65 g/mol
Exact Mass218.99
IUPAC Name2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
SMILESNc1nc(Cl)cc(SCC(=O)O)n1
InChIInChI=1S/C6H6ClN3O2S/c7-3-1-4(10-6(8)9-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,8,9,10)
InChIKeyUFWGDZQPHYRELB-UHFFFAOYSA-N
XLogP0.89
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-1-hydroxybutan-2-one
CID 163718705
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid
CID 21339614
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736
2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 3728937
tert-butyl N-[3-[3-(2-amino-6-chloropyrimidin-4-yl)sulfanylpropanoylamino]propyl]carbamate
CID 59224707
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid
CID 2772554
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
(2-amino-6-chloropyrimidin-4-yl) N,N-diethylcarbamodithioate
CID 47159130
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
2-[[4-chloro-6-(deuterioamino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid
CID 59039656

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid (CID 94830344) is 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid is Nc1nc(Cl)cc(SCC(=O)O)n1.
What is the InChIKey of 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is UFWGDZQPHYRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2S/c7-3-1-4(10-6(8)9-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid?
2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 219.65 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 94830344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).