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

C8H16N2OS — CID 56693474

IUPAC4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine
SMILESCOC1CC(C)(C)NC(SC)=N1
InChIInChI=1S/C8H16N2OS/c1-8(2)5-6(11-3)9-7(10-8)12-4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyCFVCMNWHQPJSCY-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.45
Rot. Bonds1

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

4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine (PubChem CID 56693474) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine
PubChem CID56693474
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine
SMILESCOC1CC(C)(C)NC(SC)=N1
InChIInChI=1S/C8H16N2OS/c1-8(2)5-6(11-3)9-7(10-8)12-4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyCFVCMNWHQPJSCY-UHFFFAOYSA-N
XLogP1.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine?
The IUPAC name of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine (CID 56693474) is 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine.
What is the SMILES notation for 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine?
The canonical SMILES for 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine is COC1CC(C)(C)NC(SC)=N1.
What is the InChIKey of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine?
The InChIKey is CFVCMNWHQPJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(2)5-6(11-3)9-7(10-8)12-4/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of 4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine?
4-methoxy-6,6-dimethyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine has a molecular weight of 188.30 g/mol, XLogP of 1.45, 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 is sourced from PubChem (CID 56693474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).