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

C14H15N3S — CID 80893063

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15N3S/c1-9-16-13(15)8-14(17-9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17)
InChIKeyXTGIEYAKPRPUGO-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.01
Rot. Bonds2

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

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine (PubChem CID 80893063) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
PubChem CID80893063
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15N3S/c1-9-16-13(15)8-14(17-9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17)
InChIKeyXTGIEYAKPRPUGO-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.01
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)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine (CID 80893063) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(Sc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine?
The InChIKey is XTGIEYAKPRPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-16-13(15)8-14(17-9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 3.01, 2 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)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).