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

C8H17IN2OS — CID 126478198

IUPAC4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide
SMILESCOC1CC(C)(C)NC(SC)=N1.I
InChIInChI=1S/C8H16N2OS.HI/c1-8(2)5-6(11-3)9-7(10-8)12-4;/h6H,5H2,1-4H3,(H,9,10);1H
InChIKeyWZRKIIMQBNMOED-UHFFFAOYSA-N
MW316.21 g/mol
LogP2.07
Rot. Bonds1

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

4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide (PubChem CID 126478198) has the molecular formula C8H17IN2OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide.

Molecular Properties

Compound Name4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide
PubChem CID126478198
Molecular FormulaC8H17IN2OS
Molecular Weight316.21 g/mol
Exact Mass316.01
IUPAC Name4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide
SMILESCOC1CC(C)(C)NC(SC)=N1.I
InChIInChI=1S/C8H16N2OS.HI/c1-8(2)5-6(11-3)9-7(10-8)12-4;/h6H,5H2,1-4H3,(H,9,10);1H
InChIKeyWZRKIIMQBNMOED-UHFFFAOYSA-N
XLogP2.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-3,6-dimethyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium
CID 4320189
4-Methoxy-3,6-dimethyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium iodide
CID 44657187
4-Methoxy-6,6-dimethyl-2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 56693474
(4S)-4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine
CID 92263789
(4R)-4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine
CID 92263792

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide?
The IUPAC name of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide (CID 126478198) is 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide.
What is the SMILES notation for 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide?
The canonical SMILES for 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide is COC1CC(C)(C)NC(SC)=N1.I.
What is the InChIKey of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide?
The InChIKey is WZRKIIMQBNMOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.HI/c1-8(2)5-6(11-3)9-7(10-8)12-4;/h6H,5H2,1-4H3,(H,9,10);1H.
What are the key properties of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide?
4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide has a molecular weight of 316.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine;hydroiodide is sourced from PubChem (CID 126478198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).