2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine

C17H16N2OS — CID 2948925

IUPAC2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine
SMILESc1cnc(SCCCOc2ccc3ccccc3c2)nc1
InChIInChI=1S/C17H16N2OS/c1-2-6-15-13-16(8-7-14(15)5-1)20-11-4-12-21-17-18-9-3-10-19-17/h1-3,5-10,13H,4,11-12H2
InChIKeyIMHMMDWWEOLIHU-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.19
Rot. Bonds6

About 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine

2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine (PubChem CID 2948925) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine
PubChem CID2948925
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine
SMILESc1cnc(SCCCOc2ccc3ccccc3c2)nc1
InChIInChI=1S/C17H16N2OS/c1-2-6-15-13-16(8-7-14(15)5-1)20-11-4-12-21-17-18-9-3-10-19-17/h1-3,5-10,13H,4,11-12H2
InChIKeyIMHMMDWWEOLIHU-UHFFFAOYSA-N
XLogP4.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2728726
CID 2728726
CID 6498225
CID 6498225
CID 2184557
CID 2184557
CID 2184562
CID 2184562
CID 2184847
CID 2184847
CID 2199716
CID 2199716
CID 2199975
CID 2199975
CID 17123416
CID 17123416
CID 168273738
CID 168273738
CID 2608253
CID 2608253
CID 1825708
CID 1825708
CID 2184789
CID 2184789

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine?
The IUPAC name of 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine (CID 2948925) is 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine?
The canonical SMILES for 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine is c1cnc(SCCCOc2ccc3ccccc3c2)nc1.
What is the InChIKey of 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine?
The InChIKey is IMHMMDWWEOLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-6-15-13-16(8-7-14(15)5-1)20-11-4-12-21-17-18-9-3-10-19-17/h1-3,5-10,13H,4,11-12H2.
What are the key properties of 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine?
2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine has a molecular weight of 296.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yloxypropylsulfanyl)pyrimidine is sourced from PubChem (CID 2948925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).