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

C9H19IN2OS — CID 52997285

IUPAC2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide
SMILESCCSC1=NC(C)CC(OC)N1C.I
InChIInChI=1S/C9H18N2OS.HI/c1-5-13-9-10-7(2)6-8(12-4)11(9)3;/h7-8H,5-6H2,1-4H3;1H
InChIKeyVGZYMNATCVGZGZ-UHFFFAOYSA-N
MW330.24 g/mol
LogP2.41
Rot. Bonds2

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

2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide (PubChem CID 52997285) has the molecular formula C9H19IN2OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide
PubChem CID52997285
Molecular FormulaC9H19IN2OS
Molecular Weight330.24 g/mol
Exact Mass330.03
IUPAC Name2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide
SMILESCCSC1=NC(C)CC(OC)N1C.I
InChIInChI=1S/C9H18N2OS.HI/c1-5-13-9-10-7(2)6-8(12-4)11(9)3;/h7-8H,5-6H2,1-4H3;1H
InChIKeyVGZYMNATCVGZGZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 52.41
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 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The IUPAC name of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide (CID 52997285) is 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide.
What is the SMILES notation for 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The canonical SMILES for 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide is CCSC1=NC(C)CC(OC)N1C.I.
What is the InChIKey of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
The InChIKey is VGZYMNATCVGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.HI/c1-5-13-9-10-7(2)6-8(12-4)11(9)3;/h7-8H,5-6H2,1-4H3;1H.
What are the key properties of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide?
2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide has a molecular weight of 330.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine;hydroiodide is sourced from PubChem (CID 52997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).