5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide

C7H15IN2S — CID 11737730

IUPAC5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide
SMILESCSC1=NCC(C)(C)CN1.I
InChIInChI=1S/C7H14N2S.HI/c1-7(2)4-8-6(10-3)9-5-7;/h4-5H2,1-3H3,(H,8,9);1H
InChIKeyOHNZJYVIQZMQRF-UHFFFAOYSA-N
MW286.18 g/mol
LogP1.95
Rot. Bonds

About 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide

5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide (PubChem CID 11737730) has the molecular formula C7H15IN2S and a molecular weight of 286.18 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide.

Molecular Properties

Compound Name5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide
PubChem CID11737730
Molecular FormulaC7H15IN2S
Molecular Weight286.18 g/mol
Exact Mass286.00
IUPAC Name5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide
SMILESCSC1=NCC(C)(C)CN1.I
InChIInChI=1S/C7H14N2S.HI/c1-7(2)4-8-6(10-3)9-5-7;/h4-5H2,1-3H3,(H,8,9);1H
InChIKeyOHNZJYVIQZMQRF-UHFFFAOYSA-N
XLogP1.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide?
The IUPAC name of 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide (CID 11737730) is 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide.
What is the SMILES notation for 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide?
The canonical SMILES for 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide is CSC1=NCC(C)(C)CN1.I.
What is the InChIKey of 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide?
The InChIKey is OHNZJYVIQZMQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.HI/c1-7(2)4-8-6(10-3)9-5-7;/h4-5H2,1-3H3,(H,8,9);1H.
What are the key properties of 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide?
5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide has a molecular weight of 286.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine;hydroiodide is sourced from PubChem (CID 11737730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).