2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile

C9H10N4OS2 — CID 912226

IUPAC2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(SCC(C)=O)c1C#N
InChIInChI=1S/C9H10N4OS2/c1-5(14)4-16-8-6(3-10)7(15-2)12-9(11)13-8/h4H2,1-2H3,(H2,11,12,13)
InChIKeyMPWJARHBHBINET-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.33
Rot. Bonds4

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

2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 912226) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID912226
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(SCC(C)=O)c1C#N
InChIInChI=1S/C9H10N4OS2/c1-5(14)4-16-8-6(3-10)7(15-2)12-9(11)13-8/h4H2,1-2H3,(H2,11,12,13)
InChIKeyMPWJARHBHBINET-UHFFFAOYSA-N
XLogP1.33
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propan-2-yl {[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}acetate
CID 658243
Propan-2-yl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
CID 657984
2-Amino-4-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 689226
4-Amino-2-(3-methyl-2-oxobutylthio)-6-methylthiopyrimidine-5-carbonitrile
CID 722113
Methyl 2-(5-cyano-2-methyl-6-methylsulfanylpyrimidin-4-yl)sulfanylacetate
CID 2801130
Ethyl 2-(2-amino-5-cyano-6-methylthiopyrimidin-4-ylthio)propanoate
CID 3743811
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
Ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
CID 5207688
2-Amino-4-methylthio-6-prop-2-enylthiopyrimidine-5-carbonitrile
CID 4534985
2-Amino-4-{[2-(4-methyl-1-piperazinyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
CID 20416326

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile (CID 912226) is 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile is CSc1nc(N)nc(SCC(C)=O)c1C#N.
What is the InChIKey of 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is MPWJARHBHBINET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c1-5(14)4-16-8-6(3-10)7(15-2)12-9(11)13-8/h4H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile?
2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-6-(2-oxopropylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 912226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).