2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

C11H10N4O2S — CID 155810422

IUPAC2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccs2)nc(NCCO)[nH]c1=O
InChIInChI=1S/C11H10N4O2S/c12-6-7-9(8-2-1-5-18-8)14-11(13-3-4-16)15-10(7)17/h1-2,5,16H,3-4H2,(H2,13,14,15,17)
InChIKeyGPIFYPRARKSWHI-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 155810422) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
PubChem CID155810422
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccs2)nc(NCCO)[nH]c1=O
InChIInChI=1S/C11H10N4O2S/c12-6-7-9(8-2-1-5-18-8)14-11(13-3-4-16)15-10(7)17/h1-2,5,16H,3-4H2,(H2,13,14,15,17)
InChIKeyGPIFYPRARKSWHI-UHFFFAOYSA-N
XLogP0.77
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile (CID 155810422) is 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2cccs2)nc(NCCO)[nH]c1=O.
What is the InChIKey of 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is GPIFYPRARKSWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-6-7-9(8-2-1-5-18-8)14-11(13-3-4-16)15-10(7)17/h1-2,5,16H,3-4H2,(H2,13,14,15,17).
What are the key properties of 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 155810422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).