4,6-dimethyl-1-sulfanyl-2H-pyrimidine

C6H10N2S — CID 18756213

IUPAC4,6-dimethyl-1-sulfanyl-2H-pyrimidine
SMILESCC1=CC(C)=NCN1S
InChIInChI=1S/C6H10N2S/c1-5-3-6(2)8(9)4-7-5/h3,9H,4H2,1-2H3
InChIKeyNMGKHACIEQKYDT-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.47
Rot. Bonds

About 4,6-dimethyl-1-sulfanyl-2H-pyrimidine

4,6-dimethyl-1-sulfanyl-2H-pyrimidine (PubChem CID 18756213) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4,6-dimethyl-1-sulfanyl-2H-pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-1-sulfanyl-2H-pyrimidine
PubChem CID18756213
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4,6-dimethyl-1-sulfanyl-2H-pyrimidine
SMILESCC1=CC(C)=NCN1S
InChIInChI=1S/C6H10N2S/c1-5-3-6(2)8(9)4-7-5/h3,9H,4H2,1-2H3
InChIKeyNMGKHACIEQKYDT-UHFFFAOYSA-N
XLogP1.47
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-sulfanyl-2H-pyrimidine?
The IUPAC name of 4,6-dimethyl-1-sulfanyl-2H-pyrimidine (CID 18756213) is 4,6-dimethyl-1-sulfanyl-2H-pyrimidine.
What is the SMILES notation for 4,6-dimethyl-1-sulfanyl-2H-pyrimidine?
The canonical SMILES for 4,6-dimethyl-1-sulfanyl-2H-pyrimidine is CC1=CC(C)=NCN1S.
What is the InChIKey of 4,6-dimethyl-1-sulfanyl-2H-pyrimidine?
The InChIKey is NMGKHACIEQKYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-3-6(2)8(9)4-7-5/h3,9H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-sulfanyl-2H-pyrimidine?
4,6-dimethyl-1-sulfanyl-2H-pyrimidine has a molecular weight of 142.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-sulfanyl-2H-pyrimidine is sourced from PubChem (CID 18756213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).