2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine

C13H13N3S — CID 64628654

IUPAC2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Sc1ccncn1
InChIInChI=1S/C13H13N3S/c14-13-10-4-2-1-3-9(10)7-11(13)17-12-5-6-15-8-16-12/h1-6,8,11,13H,7,14H2
InChIKeyKDLWUJVOXDWIQD-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.19
Rot. Bonds2

About 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine

2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64628654) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64628654
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Sc1ccncn1
InChIInChI=1S/C13H13N3S/c14-13-10-4-2-1-3-9(10)7-11(13)17-12-5-6-15-8-16-12/h1-6,8,11,13H,7,14H2
InChIKeyKDLWUJVOXDWIQD-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64628654) is 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Sc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KDLWUJVOXDWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c14-13-10-4-2-1-3-9(10)7-11(13)17-12-5-6-15-8-16-12/h1-6,8,11,13H,7,14H2.
What are the key properties of 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64628654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).