4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

C16H15N3S2 — CID 103334004

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Sc3ccc4c(c3)CCC4)nc(N)nc2s1
InChIInChI=1S/C16H15N3S2/c1-9-7-13-14(20-9)18-16(17)19-15(13)21-12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyIKVMLBOSQJJNNO-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.22
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334004) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334004
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Sc3ccc4c(c3)CCC4)nc(N)nc2s1
InChIInChI=1S/C16H15N3S2/c1-9-7-13-14(20-9)18-16(17)19-15(13)21-12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyIKVMLBOSQJJNNO-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011812
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80892824
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
CID 106948786
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334745

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103334004) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Sc3ccc4c(c3)CCC4)nc(N)nc2s1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IKVMLBOSQJJNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-9-7-13-14(20-9)18-16(17)19-15(13)21-12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 313.45 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).