2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

C10H7N3OS — CID 134693303

IUPAC2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(-c2ccco2)nc(=S)c1C#N
InChIInChI=1S/C10H7N3OS/c1-6-7(5-11)10(15)13-9(12-6)8-3-2-4-14-8/h2-4H,1H3,(H,12,13,15)
InChIKeyVFGFTVYPZKBQIO-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.58
Rot. Bonds1

About 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 134693303) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID134693303
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(-c2ccco2)nc(=S)c1C#N
InChIInChI=1S/C10H7N3OS/c1-6-7(5-11)10(15)13-9(12-6)8-3-2-4-14-8/h2-4H,1H3,(H,12,13,15)
InChIKeyVFGFTVYPZKBQIO-UHFFFAOYSA-N
XLogP2.58
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(4-phenylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172163
2-(4-cyanophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172162
2-(4-bromophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143295060
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106518179
2-(furan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136731
4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 155815201
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 82114108
3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 10106289
4-(furan-2-yl)-6-methyl-1H-pyrimidine-2-thione
CID 106518148
1-(furan-2-yl)-3-sulfanylidene-5,6,7,8,9,10,11,12-octahydro-2H-cyclodeca[c]pyridine-4-carbonitrile
CID 15665198

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 134693303) is 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cc1[nH]c(-c2ccco2)nc(=S)c1C#N.
What is the InChIKey of 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is VFGFTVYPZKBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6-7(5-11)10(15)13-9(12-6)8-3-2-4-14-8/h2-4H,1H3,(H,12,13,15).
What are the key properties of 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 134693303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).