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

C11H13N5OS — CID 2996570

IUPAC4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCC(=O)N2CCCC2)nc1N
InChIInChI=1S/C11H13N5OS/c12-5-8-6-14-11(15-10(8)13)18-7-9(17)16-3-1-2-4-16/h6H,1-4,7H2,(H2,13,14,15)
InChIKeyWNDUZBXCZFTYQI-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.64
Rot. Bonds3

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

4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile (PubChem CID 2996570) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
PubChem CID2996570
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCC(=O)N2CCCC2)nc1N
InChIInChI=1S/C11H13N5OS/c12-5-8-6-14-11(15-10(8)13)18-7-9(17)16-3-1-2-4-16/h6H,1-4,7H2,(H2,13,14,15)
InChIKeyWNDUZBXCZFTYQI-UHFFFAOYSA-N
XLogP0.64
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Amino-5-cyano-pyrimidin-2-ylsulfanyl)-acetic acid methyl ester
CID 654062
4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
CID 9550174
4-Amino-2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-5-pyrimidinecarbonitrile
CID 787396
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 6499900
2-[(4-Amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid
CID 268121
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 16390989
N-cyclopropyl-2-{[5-fluoro-4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
CID 17738260
2-(2-Amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236387
3-Fluoro-1-[5-methyl-2-(methylsulfanyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 154828730
[1-(5-Cyano-2-methylsulfanylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675810
[1-(2-Amino-5-cyanopyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677319
[1-(4-Amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677320

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile (CID 2996570) is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile is N#Cc1cnc(SCC(=O)N2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
The InChIKey is WNDUZBXCZFTYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c12-5-8-6-14-11(15-10(8)13)18-7-9(17)16-3-1-2-4-16/h6H,1-4,7H2,(H2,13,14,15).
What are the key properties of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile?
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile has a molecular weight of 263.33 g/mol, XLogP of 0.64, 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-pyrrolidin-1-ylethyl)sulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2996570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).