6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine

C10H17N5S — CID 13394196

IUPAC6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H17N5S/c1-14-3-5-15(6-4-14)9-7-8(11)12-10(13-9)16-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyAWWRZIJBZYZYHE-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.53
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 13394196) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID13394196
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H17N5S/c1-14-3-5-15(6-4-14)9-7-8(11)12-10(13-9)16-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyAWWRZIJBZYZYHE-UHFFFAOYSA-N
XLogP0.53
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine (CID 13394196) is 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is AWWRZIJBZYZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-14-3-5-15(6-4-14)9-7-8(11)12-10(13-9)16-2/h7H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 239.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 13394196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).