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

C12H18N4OS — CID 114236389

IUPAC2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCc1c(N)ncnc1SCC(=O)N1CCCC1
InChIInChI=1S/C12H18N4OS/c1-2-9-11(13)14-8-15-12(9)18-7-10(17)16-5-3-4-6-16/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyFHSREQOSICZALJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.34
Rot. Bonds4

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

2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 114236389) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID114236389
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCc1c(N)ncnc1SCC(=O)N1CCCC1
InChIInChI=1S/C12H18N4OS/c1-2-9-11(13)14-8-15-12(9)18-7-10(17)16-5-3-4-6-16/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyFHSREQOSICZALJ-UHFFFAOYSA-N
XLogP1.34
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-5-chloropyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 114236383
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236393
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
1-(azepan-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 56736233
2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 857528
ethyl 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carboxylate
CID 864483
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 3208237
1-piperidin-1-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
CID 2942832
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1-piperidin-1-ylethanone
CID 18554330
5-methyl-6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbaldehyde
CID 114236240
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 40546851

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 114236389) is 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is CCc1c(N)ncnc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is FHSREQOSICZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-9-11(13)14-8-15-12(9)18-7-10(17)16-5-3-4-6-16/h8H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 266.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).