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

C8H10N4S2 — CID 11447482

IUPAC4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C8H10N4S2/c1-3-14-8-11-6(10)5(4-9)7(12-8)13-2/h3H2,1-2H3,(H2,10,11,12)
InChIKeyRBSWSVDHIOZXRM-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.76
Rot. Bonds3

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

4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 11447482) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID11447482
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C8H10N4S2/c1-3-14-8-11-6(10)5(4-9)7(12-8)13-2/h3H2,1-2H3,(H2,10,11,12)
InChIKeyRBSWSVDHIOZXRM-UHFFFAOYSA-N
XLogP1.76
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-(2-cyclohexen-1-ylthio)-6-(methylthio)-5-pyrimidinecarbonitrile
CID 2962002
2-Amino-4-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 689226
4-Chloro-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 507188
4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
4-Chloro-2-ethyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 44375517
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 11447482) is 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is CCSc1nc(N)c(C#N)c(SC)n1.
What is the InChIKey of 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is RBSWSVDHIOZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-14-8-11-6(10)5(4-9)7(12-8)13-2/h3H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 226.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 11447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).