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

C17H21N3S — CID 80873809

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc3c(c2)CCC3)c1CC
InChIInChI=1S/C17H21N3S/c1-3-15-16(18-4-2)19-11-20-17(15)21-14-9-8-12-6-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyOYHILDAJMCYBHD-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.11
Rot. Bonds5

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

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine (PubChem CID 80873809) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
PubChem CID80873809
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc3c(c2)CCC3)c1CC
InChIInChI=1S/C17H21N3S/c1-3-15-16(18-4-2)19-11-20-17(15)21-14-9-8-12-6-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyOYHILDAJMCYBHD-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
N,5-diethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80888888
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
CID 103059867
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde
CID 114057208

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine (CID 80873809) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(Sc2ccc3c(c2)CCC3)c1CC.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is OYHILDAJMCYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-15-16(18-4-2)19-11-20-17(15)21-14-9-8-12-6-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 299.44 g/mol, XLogP of 4.11, 5 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,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80873809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).