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

C9H18N2OS — CID 3836557

IUPAC2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCCSC1=NC(C)CC(OC)N1C
InChIInChI=1S/C9H18N2OS/c1-5-13-9-10-7(2)6-8(12-4)11(9)3/h7-8H,5-6H2,1-4H3
InChIKeyWENQKZHWXGXVHG-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.79
Rot. Bonds2

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

2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 3836557) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
PubChem CID3836557
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCCSC1=NC(C)CC(OC)N1C
InChIInChI=1S/C9H18N2OS/c1-5-13-9-10-7(2)6-8(12-4)11(9)3/h7-8H,5-6H2,1-4H3
InChIKeyWENQKZHWXGXVHG-UHFFFAOYSA-N
XLogP1.79
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine (CID 3836557) is 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine is CCSC1=NC(C)CC(OC)N1C.
What is the InChIKey of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is WENQKZHWXGXVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-5-13-9-10-7(2)6-8(12-4)11(9)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 202.32 g/mol, XLogP of 1.79, 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 is sourced from PubChem (CID 3836557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).