2-(1-adamantylmethylsulfanyl)pyrimidine

C15H20N2S — CID 11379958

IUPAC2-(1-adamantylmethylsulfanyl)pyrimidine
SMILESc1cnc(SCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H20N2S/c1-2-16-14(17-3-1)18-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13H,4-10H2
InChIKeySFDPULHNKJLSBW-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.79
Rot. Bonds3

About 2-(1-adamantylmethylsulfanyl)pyrimidine

2-(1-adamantylmethylsulfanyl)pyrimidine (PubChem CID 11379958) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-(1-adamantylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(1-adamantylmethylsulfanyl)pyrimidine
PubChem CID11379958
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-(1-adamantylmethylsulfanyl)pyrimidine
SMILESc1cnc(SCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H20N2S/c1-2-16-14(17-3-1)18-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13H,4-10H2
InChIKeySFDPULHNKJLSBW-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylsulfanyl)pyrimidine?
The IUPAC name of 2-(1-adamantylmethylsulfanyl)pyrimidine (CID 11379958) is 2-(1-adamantylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(1-adamantylmethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(1-adamantylmethylsulfanyl)pyrimidine is c1cnc(SCC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 2-(1-adamantylmethylsulfanyl)pyrimidine?
The InChIKey is SFDPULHNKJLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-16-14(17-3-1)18-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13H,4-10H2.
What are the key properties of 2-(1-adamantylmethylsulfanyl)pyrimidine?
2-(1-adamantylmethylsulfanyl)pyrimidine has a molecular weight of 260.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 11379958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).