4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

C10H9N5S2 — CID 155927418

IUPAC4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(NN)c(C#N)c(-c2cccs2)n1
InChIInChI=1S/C10H9N5S2/c1-16-10-13-8(7-3-2-4-17-7)6(5-11)9(14-10)15-12/h2-4H,12H2,1H3,(H,13,14,15)
InChIKeyWGIVMGPFWYQUNN-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.08
Rot. Bonds3

About 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 155927418) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID155927418
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(NN)c(C#N)c(-c2cccs2)n1
InChIInChI=1S/C10H9N5S2/c1-16-10-13-8(7-3-2-4-17-7)6(5-11)9(14-10)15-12/h2-4H,12H2,1H3,(H,13,14,15)
InChIKeyWGIVMGPFWYQUNN-UHFFFAOYSA-N
XLogP2.08
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(methylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
CID 2819127
2-Amino-4-phenyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 152221872
2-Amino-4-(ethylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
CID 1484459
2-Amino-4-(propylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
CID 3785799
[(5-Cyano-2-prop-2-ynylsulfanyl-6-thiophen-2-ylpyrimidin-4-yl)amino]thiourea
CID 132585193
2-Amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
CID 166625747
2-(Methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
CID 166629417
2-Amino-4-(isopropylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
CID 1484458
[(5-Cyano-6-phenyl-2-prop-2-ynylsulfanylpyrimidin-4-yl)amino]thiourea
CID 87057443
[[5-Cyano-6-(4-methylphenyl)-2-prop-2-ynylsulfanylpyrimidin-4-yl]amino]thiourea
CID 87057533
[[5-Cyano-6-(4-fluorophenyl)-2-prop-2-ynylsulfanylpyrimidin-4-yl]amino]thiourea
CID 118733203
4-Chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 507172

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (CID 155927418) is 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is CSc1nc(NN)c(C#N)c(-c2cccs2)n1.
What is the InChIKey of 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is WGIVMGPFWYQUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-16-10-13-8(7-3-2-4-17-7)6(5-11)9(14-10)15-12/h2-4H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 263.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 155927418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).