1-ethyl-2-methylsulfanyl-2H-pyrimidine

C7H12N2S — CID 166851123

IUPAC1-ethyl-2-methylsulfanyl-2H-pyrimidine
SMILESCCN1C=CC=NC1SC
InChIInChI=1S/C7H12N2S/c1-3-9-6-4-5-8-7(9)10-2/h4-7H,3H2,1-2H3
InChIKeyWRKQQYMIRDMQJD-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.55
Rot. Bonds2

About 1-ethyl-2-methylsulfanyl-2H-pyrimidine

1-ethyl-2-methylsulfanyl-2H-pyrimidine (PubChem CID 166851123) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-ethyl-2-methylsulfanyl-2H-pyrimidine.

Molecular Properties

Compound Name1-ethyl-2-methylsulfanyl-2H-pyrimidine
PubChem CID166851123
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-ethyl-2-methylsulfanyl-2H-pyrimidine
SMILESCCN1C=CC=NC1SC
InChIInChI=1S/C7H12N2S/c1-3-9-6-4-5-8-7(9)10-2/h4-7H,3H2,1-2H3
InChIKeyWRKQQYMIRDMQJD-UHFFFAOYSA-N
XLogP1.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylsulfanyl-2H-pyrimidine?
The IUPAC name of 1-ethyl-2-methylsulfanyl-2H-pyrimidine (CID 166851123) is 1-ethyl-2-methylsulfanyl-2H-pyrimidine.
What is the SMILES notation for 1-ethyl-2-methylsulfanyl-2H-pyrimidine?
The canonical SMILES for 1-ethyl-2-methylsulfanyl-2H-pyrimidine is CCN1C=CC=NC1SC.
What is the InChIKey of 1-ethyl-2-methylsulfanyl-2H-pyrimidine?
The InChIKey is WRKQQYMIRDMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-9-6-4-5-8-7(9)10-2/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylsulfanyl-2H-pyrimidine?
1-ethyl-2-methylsulfanyl-2H-pyrimidine has a molecular weight of 156.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylsulfanyl-2H-pyrimidine is sourced from PubChem (CID 166851123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).