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

C15H17N3S — CID 80893061

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc3c(c2)CCC3)nc(C)n1
InChIInChI=1S/C15H17N3S/c1-10-17-14(16-2)9-15(18-10)19-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyFKMAQLPUYBLKHS-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.47
Rot. Bonds3

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

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80893061) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
PubChem CID80893061
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc3c(c2)CCC3)nc(C)n1
InChIInChI=1S/C15H17N3S/c1-10-17-14(16-2)9-15(18-10)19-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyFKMAQLPUYBLKHS-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893816
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80886717
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011812
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
CID 80930601
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine (CID 80893061) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine is CNc1cc(Sc2ccc3c(c2)CCC3)nc(C)n1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is FKMAQLPUYBLKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-17-14(16-2)9-15(18-10)19-13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.47, 3 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,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80893061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).