6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine

C16H19N3S — CID 80893146

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C16H19N3S/c1-3-17-15-11(2)16(19-10-18-15)20-14-8-7-12-5-4-6-13(12)9-14/h7-10H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyPTUQAMANZYMYBG-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.86
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80893146) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80893146
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C16H19N3S/c1-3-17-15-11(2)16(19-10-18-15)20-14-8-7-12-5-4-6-13(12)9-14/h7-10H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyPTUQAMANZYMYBG-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine (CID 80893146) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Sc2ccc3c(c2)CCC3)c1C.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is PTUQAMANZYMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-17-15-11(2)16(19-10-18-15)20-14-8-7-12-5-4-6-13(12)9-14/h7-10H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80893146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).