4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine

C12H20N2S2 — CID 134171694

IUPAC4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCCCC(CC)c1cc(SC)nc(SC)n1
InChIInChI=1S/C12H20N2S2/c1-5-7-9(6-2)10-8-11(15-3)14-12(13-10)16-4/h8-9H,5-7H2,1-4H3
InChIKeyRQFPMORMGFCKAB-UHFFFAOYSA-N
MW256.44 g/mol
LogP4.21
Rot. Bonds6

About 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine

4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 134171694) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID134171694
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCCCC(CC)c1cc(SC)nc(SC)n1
InChIInChI=1S/C12H20N2S2/c1-5-7-9(6-2)10-8-11(15-3)14-12(13-10)16-4/h8-9H,5-7H2,1-4H3
InChIKeyRQFPMORMGFCKAB-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine (CID 134171694) is 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine is CCCC(CC)c1cc(SC)nc(SC)n1.
What is the InChIKey of 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is RQFPMORMGFCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-5-7-9(6-2)10-8-11(15-3)14-12(13-10)16-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine?
4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 256.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 134171694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).