1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine

C6H12N2S — CID 3371191

IUPAC1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCSC1=NCCCN1C
InChIInChI=1S/C6H12N2S/c1-8-5-3-4-7-6(8)9-2/h3-5H2,1-2H3
InChIKeyIGFYRBDAPXOWPY-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.04
Rot. Bonds

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

1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (PubChem CID 3371191) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
PubChem CID3371191
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCSC1=NCCCN1C
InChIInChI=1S/C6H12N2S/c1-8-5-3-4-7-6(8)9-2/h3-5H2,1-2H3
InChIKeyIGFYRBDAPXOWPY-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (CID 3371191) is 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine is CSC1=NCCCN1C.
What is the InChIKey of 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is IGFYRBDAPXOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-8-5-3-4-7-6(8)9-2/h3-5H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 144.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 3371191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).