2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile

C7H9N5S — CID 141183319

IUPAC2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(N)c1C#N
InChIInChI=1S/C7H9N5S/c1-2-13-6-4(3-8)5(9)11-7(10)12-6/h2H2,1H3,(H4,9,10,11,12)
InChIKeyLCWDGULRNCGGBD-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.62
Rot. Bonds2

About 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile

2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile (PubChem CID 141183319) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile
PubChem CID141183319
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)nc(N)c1C#N
InChIInChI=1S/C7H9N5S/c1-2-13-6-4(3-8)5(9)11-7(10)12-6/h2H2,1H3,(H4,9,10,11,12)
InChIKeyLCWDGULRNCGGBD-UHFFFAOYSA-N
XLogP0.62
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-(Tert-butylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 929995
4-Amino-2-(hexadecylsulfanyl)-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 71446378
2-Amino-4-methylthio-6-prop-2-enylthiopyrimidine-5-carbonitrile
CID 4534985
2-Amino-4-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 15744710
2-[1-Cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 329705

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile (CID 141183319) is 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile is CCSc1nc(N)nc(N)c1C#N.
What is the InChIKey of 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is LCWDGULRNCGGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-2-13-6-4(3-8)5(9)11-7(10)12-6/h2H2,1H3,(H4,9,10,11,12).
What are the key properties of 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile?
2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 195.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-ethylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 141183319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).