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

C7H8N4S2 — CID 820634

IUPAC4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C7H8N4S2/c1-12-6-4(3-8)5(9)10-7(11-6)13-2/h1-2H3,(H2,9,10,11)
InChIKeyUMLJRQHCHCJUKT-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.37
Rot. Bonds2

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

4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 820634) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID820634
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(SC)n1
InChIInChI=1S/C7H8N4S2/c1-12-6-4(3-8)5(9)10-7(11-6)13-2/h1-2H3,(H2,9,10,11)
InChIKeyUMLJRQHCHCJUKT-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile (CID 820634) is 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is CSc1nc(N)c(C#N)c(SC)n1.
What is the InChIKey of 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is UMLJRQHCHCJUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-12-6-4(3-8)5(9)10-7(11-6)13-2/h1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile?
4-amino-2,6-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 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 820634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).