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

C8H17IN2OS — CID 52997543

IUPAC6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide
SMILESCOC1CC(C)N=C(SC)N1C.I
InChIInChI=1S/C8H16N2OS.HI/c1-6-5-7(11-3)10(2)8(9-6)12-4;/h6-7H,5H2,1-4H3;1H
InChIKeyCCXBBOXDRHGVDM-UHFFFAOYSA-N
MW316.21 g/mol
LogP2.02
Rot. Bonds1

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

6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide (PubChem CID 52997543) has the molecular formula C8H17IN2OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide.

Molecular Properties

Compound Name6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide
PubChem CID52997543
Molecular FormulaC8H17IN2OS
Molecular Weight316.21 g/mol
Exact Mass316.01
IUPAC Name6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide
SMILESCOC1CC(C)N=C(SC)N1C.I
InChIInChI=1S/C8H16N2OS.HI/c1-6-5-7(11-3)10(2)8(9-6)12-4;/h6-7H,5H2,1-4H3;1H
InChIKeyCCXBBOXDRHGVDM-UHFFFAOYSA-N
XLogP2.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The IUPAC name of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide (CID 52997543) is 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide.
What is the SMILES notation for 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The canonical SMILES for 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide is COC1CC(C)N=C(SC)N1C.I.
What is the InChIKey of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The InChIKey is CCXBBOXDRHGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.HI/c1-6-5-7(11-3)10(2)8(9-6)12-4;/h6-7H,5H2,1-4H3;1H.
What are the key properties of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide has a molecular weight of 316.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine;hydroiodide is sourced from PubChem (CID 52997543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).