2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine

C14H20N2O2S — CID 8875395

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(C)c(CSC2=NCCCN2)cc1OC
InChIInChI=1S/C14H20N2O2S/c1-10-7-12(17-2)13(18-3)8-11(10)9-19-14-15-5-4-6-16-14/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyRYWDBDNMSKULKI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.59
Rot. Bonds4

About 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 8875395) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID8875395
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(C)c(CSC2=NCCCN2)cc1OC
InChIInChI=1S/C14H20N2O2S/c1-10-7-12(17-2)13(18-3)8-11(10)9-19-14-15-5-4-6-16-14/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyRYWDBDNMSKULKI-UHFFFAOYSA-N
XLogP2.59
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine (CID 8875395) is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine is COc1cc(C)c(CSC2=NCCCN2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RYWDBDNMSKULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-7-12(17-2)13(18-3)8-11(10)9-19-14-15-5-4-6-16-14/h7-8H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine?
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 280.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 8875395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).