4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one

C11H17N5OS — CID 80834891

IUPAC4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
SMILESCSc1nc(N)cc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-11(2)9(17)13-4-5-16(11)8-6-7(12)14-10(15-8)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeyIDXCIZGIFQBLIY-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.50
Rot. Bonds2

About 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one

4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 80834891) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
PubChem CID80834891
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
SMILESCSc1nc(N)cc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-11(2)9(17)13-4-5-16(11)8-6-7(12)14-10(15-8)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeyIDXCIZGIFQBLIY-UHFFFAOYSA-N
XLogP0.50
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one (CID 80834891) is 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one is CSc1nc(N)cc(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is IDXCIZGIFQBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-11(2)9(17)13-4-5-16(11)8-6-7(12)14-10(15-8)18-3/h6H,4-5H2,1-3H3,(H,13,17)(H2,12,14,15).
What are the key properties of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one?
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 267.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 80834891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).