2,6-dichloro-5-methylsulfanylpyrimidin-4-amine

C5H5Cl2N3S — CID 12926759

IUPAC2,6-dichloro-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(7)10-4(2)8/h1H3,(H2,8,9,10)
InChIKeyDQGFHDMKKLPPCA-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.09
Rot. Bonds1

About 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine

2,6-dichloro-5-methylsulfanylpyrimidin-4-amine (PubChem CID 12926759) has the molecular formula C5H5Cl2N3S and a molecular weight of 210.09 g/mol. Its IUPAC name is 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-5-methylsulfanylpyrimidin-4-amine
PubChem CID12926759
Molecular FormulaC5H5Cl2N3S
Molecular Weight210.09 g/mol
Exact Mass208.96
IUPAC Name2,6-dichloro-5-methylsulfanylpyrimidin-4-amine
SMILESCSc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(7)10-4(2)8/h1H3,(H2,8,9,10)
InChIKeyDQGFHDMKKLPPCA-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~4~-butyl-6-chloro-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
CID 2765582
6-Chloro-5-(trifluoromethylsulfanyl)pyrimidine-2,4-diamine
CID 357980
Ukj 72J
CID 124699
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
2,4,6-Trichloro-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794026
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
Tioclorim
CID 50262
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
4-Amino-2,6-difluoro-5-methylthio-pyrimidine
CID 13579895
6-Chloro-5-fluoro-2-(methylsulfanyl)pyrimidin-4-amine
CID 129164600
4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
CID 1488580
2,6-Diamino-4-chloropyrimidine-5-thiol
CID 132277047

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine (CID 12926759) is 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine is CSc1c(N)nc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine?
The InChIKey is DQGFHDMKKLPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(7)10-4(2)8/h1H3,(H2,8,9,10).
What are the key properties of 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine?
2,6-dichloro-5-methylsulfanylpyrimidin-4-amine has a molecular weight of 210.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 12926759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).