4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one

C11H17N5OS — CID 114157084

IUPAC4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1cc(NC2CNC(=O)C2)nc(SC)n1
InChIInChI=1S/C11H17N5OS/c1-3-12-8-5-9(16-11(15-8)18-2)14-7-4-10(17)13-6-7/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16)
InChIKeyLCPWAXFKWDDARP-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.93
Rot. Bonds5

About 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 114157084) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID114157084
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1cc(NC2CNC(=O)C2)nc(SC)n1
InChIInChI=1S/C11H17N5OS/c1-3-12-8-5-9(16-11(15-8)18-2)14-7-4-10(17)13-6-7/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16)
InChIKeyLCPWAXFKWDDARP-UHFFFAOYSA-N
XLogP0.93
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one (CID 114157084) is 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one is CCNc1cc(NC2CNC(=O)C2)nc(SC)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is LCPWAXFKWDDARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-12-8-5-9(16-11(15-8)18-2)14-7-4-10(17)13-6-7/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16).
What are the key properties of 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 267.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 114157084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).