2,4,6-tris(methylsulfanyl)pyrimidin-5-amine

C7H11N3S3 — CID 22592215

IUPAC2,4,6-tris(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(SC)c(N)c(SC)n1
InChIInChI=1S/C7H11N3S3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3
InChIKeyFJYADXOZRASWTB-UHFFFAOYSA-N
MW233.39 g/mol
LogP2.22
Rot. Bonds3

About 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine

2,4,6-tris(methylsulfanyl)pyrimidin-5-amine (PubChem CID 22592215) has the molecular formula C7H11N3S3 and a molecular weight of 233.39 g/mol. Its IUPAC name is 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2,4,6-tris(methylsulfanyl)pyrimidin-5-amine
PubChem CID22592215
Molecular FormulaC7H11N3S3
Molecular Weight233.39 g/mol
Exact Mass233.01
IUPAC Name2,4,6-tris(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(SC)c(N)c(SC)n1
InChIInChI=1S/C7H11N3S3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3
InChIKeyFJYADXOZRASWTB-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
2,4,6-Tris(methylthio)-5-nitropyrimidine
CID 14893048
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
4-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
4-Methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 46708175
2-Amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
CID 5355427
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine (CID 22592215) is 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine is CSc1nc(SC)c(N)c(SC)n1.
What is the InChIKey of 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is FJYADXOZRASWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3.
What are the key properties of 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine?
2,4,6-tris(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 233.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 22592215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).