6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine

C15H17N3O2S — CID 115479576

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Sc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-14(16-3)17-10(2)18-15(9)21-11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyVBGVUZVLHUFONQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.06
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 115479576) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID115479576
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Sc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-14(16-3)17-10(2)18-15(9)21-11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyVBGVUZVLHUFONQ-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine with MolForge

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Related Compounds

4-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylpyrimidine
CID 115478629
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80806415
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 115478457
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 115479565
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 115479600
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 115480572
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-methylpyridin-2-amine
CID 115478990
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
CID 80889836
3-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
CID 113318405
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboxylic acid
CID 107555286

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine (CID 115479576) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Sc2ccc3c(c2)OCCO3)c1C.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is VBGVUZVLHUFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-14(16-3)17-10(2)18-15(9)21-11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine?
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 115479576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).