2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine

C9H9ClN6S — CID 88918809

IUPAC2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(-c2cnc(N)nc2)nc1Cl
InChIInChI=1S/C9H9ClN6S/c1-17-5-6(10)15-8(16-7(5)11)4-2-13-9(12)14-3-4/h2-3H,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyBHGSDAVKJAISSO-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine

2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine (PubChem CID 88918809) has the molecular formula C9H9ClN6S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine
PubChem CID88918809
Molecular FormulaC9H9ClN6S
Molecular Weight268.73 g/mol
Exact Mass268.03
IUPAC Name2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(-c2cnc(N)nc2)nc1Cl
InChIInChI=1S/C9H9ClN6S/c1-17-5-6(10)15-8(16-7(5)11)4-2-13-9(12)14-3-4/h2-3H,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyBHGSDAVKJAISSO-UHFFFAOYSA-N
XLogP1.47
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
5-[[(4-Amino-2-methylpyrimidin-5-yl)methyldisulfanyl]methyl]-2-methylpyrimidin-4-amine
CID 121000663
5-[(4-Amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
CID 121015810
1-(4-chloro-5-methylsulfanylpyrimidin-2-yl)-N-ethyl-4-methylpiperazin-2-amine
CID 20393815
1-(4-chloro-5-methylsulfanylpyrimidin-2-yl)-4-methyl-N-propylpiperazin-2-amine
CID 20393818
2-methylamino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine
CID 20393833
2-amino-4-N-methylpiperazino-6-chloro-5-methylthio-pyrimidine
CID 20393834
2-Amino-4-N-methylpiperazino-6-chloro-5-methylthio-pyrimidine hydrochloride
CID 20393842
5-(4-Chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 53328223
2-Methyl-4-amino-5-pyrimidylmethylidene-(2-methyl-4-amino-5-pyrimidylmethyl)amine
CID 53857710
1-[2-[(4-Chloro-2-methylpyrimidin-5-yl)methylsulfanyl]ethyl]-3-cyano-2-methylguanidine
CID 54209434

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine (CID 88918809) is 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine is CSc1c(N)nc(-c2cnc(N)nc2)nc1Cl.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine?
The InChIKey is BHGSDAVKJAISSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6S/c1-17-5-6(10)15-8(16-7(5)11)4-2-13-9(12)14-3-4/h2-3H,1H3,(H2,11,15,16)(H2,12,13,14).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine?
2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine has a molecular weight of 268.73 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 88918809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).