4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine

C7H11N3S2 — CID 46708175

IUPAC4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)c(N)c(SC)n1
InChIInChI=1S/C7H11N3S2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h8H2,1-3H3
InChIKeyDZBDKGOMJNIBEL-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.81
Rot. Bonds2

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

4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine (PubChem CID 46708175) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine
PubChem CID46708175
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)c(N)c(SC)n1
InChIInChI=1S/C7H11N3S2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h8H2,1-3H3
InChIKeyDZBDKGOMJNIBEL-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine (CID 46708175) is 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine is CSc1nc(C)c(N)c(SC)n1.
What is the InChIKey of 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is DZBDKGOMJNIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h8H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine?
4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 201.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 46708175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).