5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine

C6H8ClN3S — CID 83872116

IUPAC5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(C)nc(N)c1Cl
InChIInChI=1S/C6H8ClN3S/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10)
InChIKeyPBSKQBVHHBPJTA-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.74
Rot. Bonds1

About 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine

5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 83872116) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID83872116
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(C)nc(N)c1Cl
InChIInChI=1S/C6H8ClN3S/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10)
InChIKeyPBSKQBVHHBPJTA-UHFFFAOYSA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
4-Chloro-2-methyl-6-(methylthio)pyrimidine
CID 56924430
4-Chloro-2-ethyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 44375517
5-Chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
CID 123146729
4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile
CID 2735723
6-Chloro-2-methyl-5-(methylsulfanyl)pyrimidin-4-yl thiocyanate
CID 13914658
5-Chloro-2,4,6-tris(ethenylsulfanyl)pyrimidine
CID 22338668
2,5-Dimethyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23403386
2,6-bis(2-aminoethylsulfanyl)-5-chloro-N-deuteriopyrimidin-4-amine
CID 59815909
5-Chloro-6-methylsulfanylpyrimidine-2,4-diamine
CID 70573638
5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 70573863
5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 70615458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine (CID 83872116) is 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine is CSc1nc(C)nc(N)c1Cl.
What is the InChIKey of 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is PBSKQBVHHBPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10).
What are the key properties of 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine?
5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 189.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 83872116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).