2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile

C7H8N4S2 — CID 4778754

IUPAC2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C7H8N4S2/c1-12-5-4(3-8)6(13-2)11-7(9)10-5/h1-2H3,(H2,9,10,11)
InChIKeyUBGQMNREFNCBCW-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile

2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 4778754) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID4778754
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(SC)c1C#N
InChIInChI=1S/C7H8N4S2/c1-12-5-4(3-8)6(13-2)11-7(9)10-5/h1-2H3,(H2,9,10,11)
InChIKeyUBGQMNREFNCBCW-UHFFFAOYSA-N
XLogP1.37
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 507187
4-Chloro-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 507188
4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
4-Amino-2-(3-methyl-2-oxobutylthio)-6-methylthiopyrimidine-5-carbonitrile
CID 722113
2-(2-Amino-5-cyano-6-methylthiopyrimidin-4-ylthio)acetamide
CID 4353539
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
4-Amino-2-(hexadecylsulfanyl)-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 71446378
2-Amino-4-methylthio-6-prop-2-enylthiopyrimidine-5-carbonitrile
CID 4534985
2-[1-Cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 329705
4-(Dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 2801175

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (CID 4778754) is 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is CSc1nc(N)nc(SC)c1C#N.
What is the InChIKey of 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is UBGQMNREFNCBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-12-5-4(3-8)6(13-2)11-7(9)10-5/h1-2H3,(H2,9,10,11).
What are the key properties of 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 4778754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).