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

C9H5N3OS — CID 175816359

IUPAC6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccs2)nc[nH]c1=O
InChIInChI=1S/C9H5N3OS/c10-4-6-8(7-2-1-3-14-7)11-5-12-9(6)13/h1-3,5H,(H,11,12,13)
InChIKeyUTPREZSUMRSBJH-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.37
Rot. Bonds1

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

6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 175816359) has the molecular formula C9H5N3OS and a molecular weight of 203.23 g/mol. Its IUPAC name is 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
PubChem CID175816359
Molecular FormulaC9H5N3OS
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Name6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccs2)nc[nH]c1=O
InChIInChI=1S/C9H5N3OS/c10-4-6-8(7-2-1-3-14-7)11-5-12-9(6)13/h1-3,5H,(H,11,12,13)
InChIKeyUTPREZSUMRSBJH-UHFFFAOYSA-N
XLogP1.37
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylthio)-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile
CID 135445597
N-({[5-cyano-6-oxo-4-(2-thienyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetyl)-N'-methylurea
CID 135433305
4(1H)-Pyrimidinone, 5-(2-thienyl)-
CID 3041902
4-oxo-2-(2-oxopropylsulfanyl)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 135460554
1-Methyl-2-methylsulfanyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile
CID 2727379
2-Hydrazino-1-methyl-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile
CID 2782193
2-ethylsulfanyl-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 137307525
5-Fluoro-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one
CID 168016983
5-Fluoro-6-[(thiophen-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 168017047
6-(Thiophen-2-yl)pyrimidin-4-ol
CID 135876284
2-(2-hydroxyethylamino)-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 155810422
5,6-Dihydrothieno[3,2-h]quinazolin-4-ol
CID 136397856

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile (CID 175816359) is 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2cccs2)nc[nH]c1=O.
What is the InChIKey of 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is UTPREZSUMRSBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS/c10-4-6-8(7-2-1-3-14-7)11-5-12-9(6)13/h1-3,5H,(H,11,12,13).
What are the key properties of 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile?
6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 203.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 175816359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).