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

C8H16N2OS — CID 3783851

IUPAC6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCOC1CC(C)N=C(SC)N1C
InChIInChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3
InChIKeyZPVLYCOIFHJJRZ-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.40
Rot. Bonds1

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

6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (PubChem CID 3783851) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
PubChem CID3783851
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCOC1CC(C)N=C(SC)N1C
InChIInChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3
InChIKeyZPVLYCOIFHJJRZ-UHFFFAOYSA-N
XLogP1.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (CID 3783851) is 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine is COC1CC(C)N=C(SC)N1C.
What is the InChIKey of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is ZPVLYCOIFHJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3.
What are the key properties of 6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 188.30 g/mol, XLogP of 1.40, 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 is sourced from PubChem (CID 3783851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).