2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C12H18N4OS — CID 114236393

IUPAC2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)c(C)c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C12H18N4OS/c1-8-11(13)14-9(2)15-12(8)18-7-10(17)16-5-3-4-6-16/h3-7H2,1-2H3,(H2,13,14,15)
InChIKeyIBAQSDZOHXCBCN-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.39
Rot. Bonds3

About 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 114236393) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID114236393
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)c(C)c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C12H18N4OS/c1-8-11(13)14-9(2)15-12(8)18-7-10(17)16-5-3-4-6-16/h3-7H2,1-2H3,(H2,13,14,15)
InChIKeyIBAQSDZOHXCBCN-UHFFFAOYSA-N
XLogP1.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236389
1-(azepan-1-yl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 39075356
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 24703937
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
1-pyrrolidin-1-yl-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 856908
2-(6-amino-5-chloropyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 114236383
6-methyl-2-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350689
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 1434069
2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 857528

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 114236393) is 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is Cc1nc(N)c(C)c(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is IBAQSDZOHXCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-11(13)14-9(2)15-12(8)18-7-10(17)16-5-3-4-6-16/h3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 266.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).