5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C13H19N3OS — CID 54570242

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOc1ccc(CSC2CN=C(N)N(C)C2)cc1
InChIInChI=1S/C13H19N3OS/c1-16-8-12(7-15-13(16)14)18-9-10-3-5-11(17-2)6-4-10/h3-6,12H,7-9H2,1-2H3,(H2,14,15)
InChIKeyZWSUVCOZFHWGEX-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.56
Rot. Bonds4

About 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 54570242) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID54570242
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOc1ccc(CSC2CN=C(N)N(C)C2)cc1
InChIInChI=1S/C13H19N3OS/c1-16-8-12(7-15-13(16)14)18-9-10-3-5-11(17-2)6-4-10/h3-6,12H,7-9H2,1-2H3,(H2,14,15)
InChIKeyZWSUVCOZFHWGEX-UHFFFAOYSA-N
XLogP1.56
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl sulfate;5-[(4-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-1,3-diazinan-2-one
CID 158059866
6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-amine
CID 15077387
4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
CID 10242740
5-[(4-methoxyphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 154447826
5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 54490200
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinan-2-one
CID 13332723
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinane-2-thione
CID 54089668
3-[(4-methoxyphenyl)methylsulfanyl]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674287
3-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane
CID 19797265
1-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-N-methylpyrrolidine-2-carboxamide
CID 14880305
tert-butyl (2S,4S)-2-(dimethylcarbamoyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate
CID 57063871
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidin-2-yl]methanone
CID 67612521

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 54570242) is 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is COc1ccc(CSC2CN=C(N)N(C)C2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ZWSUVCOZFHWGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-8-12(7-15-13(16)14)18-9-10-3-5-11(17-2)6-4-10/h3-6,12H,7-9H2,1-2H3,(H2,14,15).
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 265.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 54570242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).