4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile

C12H15N5OS — CID 787396

IUPAC4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCC(=O)N2CCCCC2)nc1N
InChIInChI=1S/C12H15N5OS/c13-6-9-7-15-12(16-11(9)14)19-8-10(18)17-4-2-1-3-5-17/h7H,1-5,8H2,(H2,14,15,16)
InChIKeyXXTKRPLVXDVTJR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile

4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile (PubChem CID 787396) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
PubChem CID787396
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCC(=O)N2CCCCC2)nc1N
InChIInChI=1S/C12H15N5OS/c13-6-9-7-15-12(16-11(9)14)19-8-10(18)17-4-2-1-3-5-17/h7H,1-5,8H2,(H2,14,15,16)
InChIKeyXXTKRPLVXDVTJR-UHFFFAOYSA-N
XLogP1.04
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine-5-carbonitrile
CID 2996570
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 6499900
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 8933167
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 16390989
4-(3-Fluoropiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 172006123
4-(4-Fluoropiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 172880673
4-[3-(4,4-Difluoropiperidine-1-carbonyl)azetidin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 172893487
2-{1-[5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidin-4-yl}-N-(2,2-difluoroethyl)acetamide
CID 175648436
4-Amino-2-(2-methoxyethylsulfanyl)pyrimidine-5-carbonitrile
CID 45859994
2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetamide
CID 865195
2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
CID 23590438
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 23590439

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile (CID 787396) is 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile is N#Cc1cnc(SCC(=O)N2CCCCC2)nc1N.
What is the InChIKey of 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The InChIKey is XXTKRPLVXDVTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c13-6-9-7-15-12(16-11(9)14)19-8-10(18)17-4-2-1-3-5-17/h7H,1-5,8H2,(H2,14,15,16).
What are the key properties of 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile has a molecular weight of 277.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 787396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).