2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine

C9H15N5S — CID 77231452

IUPAC2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5S/c1-15-9-12-7(10)6-8(13-9)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H2,10,12,13)
InChIKeyFRCTXRISPQBJHZ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.19
Rot. Bonds2

About 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine

2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 77231452) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID77231452
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5S/c1-15-9-12-7(10)6-8(13-9)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H2,10,12,13)
InChIKeyFRCTXRISPQBJHZ-UHFFFAOYSA-N
XLogP0.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine (CID 77231452) is 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine is CSc1nc(N)cc(N2CCNCC2)n1.
What is the InChIKey of 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is FRCTXRISPQBJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-15-9-12-7(10)6-8(13-9)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H2,10,12,13).
What are the key properties of 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine?
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 225.32 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 77231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).