2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine

C8H14N4S2 — CID 135397792

IUPAC2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine
SMILESCCSc1nc(N)c(N)c(SCC)n1
InChIInChI=1S/C8H14N4S2/c1-3-13-7-5(9)6(10)11-8(12-7)14-4-2/h3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyPIILIWRCHQYOPJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.87
Rot. Bonds4

About 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine

2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine (PubChem CID 135397792) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine
PubChem CID135397792
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine
SMILESCCSc1nc(N)c(N)c(SCC)n1
InChIInChI=1S/C8H14N4S2/c1-3-13-7-5(9)6(10)11-8(12-7)14-4-2/h3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyPIILIWRCHQYOPJ-UHFFFAOYSA-N
XLogP1.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine?
The IUPAC name of 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine (CID 135397792) is 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine is CCSc1nc(N)c(N)c(SCC)n1.
What is the InChIKey of 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine?
The InChIKey is PIILIWRCHQYOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-3-13-7-5(9)6(10)11-8(12-7)14-4-2/h3-4,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine?
2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine has a molecular weight of 230.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethylsulfanyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 135397792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).