2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile

C6H8N6S — CID 55281993

IUPAC2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(NN)c1C#N
InChIInChI=1S/C6H8N6S/c1-13-5-3(2-7)4(12-9)10-6(8)11-5/h9H2,1H3,(H3,8,10,11,12)
InChIKeyJTLAZMBUCBQNIH-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile

2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 55281993) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID55281993
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(NN)c1C#N
InChIInChI=1S/C6H8N6S/c1-13-5-3(2-7)4(12-9)10-6(8)11-5/h9H2,1H3,(H3,8,10,11,12)
InChIKeyJTLAZMBUCBQNIH-UHFFFAOYSA-N
XLogP-0.06
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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

4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
CID 820634
Sodium 2-amino-4-methylthio-5-cyanopyrimidine-6-thiolate
CID 4778788
4-Amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 2746109
7-Amino-5-methylsulfanyltetrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 15785046
4-Amino-2-hexylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 10902084
4-Amino-2-tert-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 11345831
2-Amino-5-cyano-6-methylsulfanylpyrimidine-4-thiolate
CID 1714097
5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
CID 4778754
4-Amino-2-(butylthio)-6-(methylthio)pyrimidine-5-carbonitrile
CID 11207546
4-Amino-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 11447482
4-Amino-2-chloro-6-(methylthio)pyrimidine-5-carbonitrile
CID 11830458

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 55281993) is 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(N)nc(NN)c1C#N.
What is the InChIKey of 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is JTLAZMBUCBQNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-13-5-3(2-7)4(12-9)10-6(8)11-5/h9H2,1H3,(H3,8,10,11,12).
What are the key properties of 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile?
2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 196.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydrazinyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 55281993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).