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

C10H14N4S2 — CID 11207546

IUPAC4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C10H14N4S2/c1-3-4-5-16-10-13-8(12)7(6-11)9(14-10)15-2/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyWGKMTOFPMUOVME-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.54
Rot. Bonds5

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

4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 11207546) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID11207546
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCCCCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C10H14N4S2/c1-3-4-5-16-10-13-8(12)7(6-11)9(14-10)15-2/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyWGKMTOFPMUOVME-UHFFFAOYSA-N
XLogP2.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 11207546) is 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is CCCCSc1nc(N)c(C#N)c(SC)n1.
What is the InChIKey of 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is WGKMTOFPMUOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-3-4-5-16-10-13-8(12)7(6-11)9(14-10)15-2/h3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 254.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 11207546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).