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

C5H5Cl2N3S — CID 12926758

IUPAC4,6-dichloro-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
InChIKeyQYEHUJHOZPDALA-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.09
Rot. Bonds1

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

4,6-dichloro-5-methylsulfanylpyrimidin-2-amine (PubChem CID 12926758) has the molecular formula C5H5Cl2N3S and a molecular weight of 210.09 g/mol. Its IUPAC name is 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-methylsulfanylpyrimidin-2-amine
PubChem CID12926758
Molecular FormulaC5H5Cl2N3S
Molecular Weight210.09 g/mol
Exact Mass208.96
IUPAC Name4,6-dichloro-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
InChIKeyQYEHUJHOZPDALA-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

6-Chloro-5-(trifluoromethylsulfanyl)pyrimidine-2,4-diamine
CID 357980
Ukj 72J
CID 124699
2,4,6-Trichloro-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794026
2,4-Dichloro-6-iodo-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794047
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
Tioclorim
CID 50262
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
4,6-Difluoro-5-methylsulfanylpyrimidin-2-amine
CID 13579896
2,4-Dichloro-6-fluoro-5-methylsulfonylpyrimidine
CID 22158572
2,4-Dichloro-5-fluoro-6-methylsulfanylpyrimidine
CID 155784193
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 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine (CID 12926758) is 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine is CSc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is QYEHUJHOZPDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10).
What are the key properties of 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine?
4,6-dichloro-5-methylsulfanylpyrimidin-2-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 4,6-dichloro-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 12926758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).