N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

C15H17N3S — CID 64634656

IUPACN-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1Sc1nccc(C)n1
InChIInChI=1S/C15H17N3S/c1-10-7-8-17-15(18-10)19-13-9-11-5-3-4-6-12(11)14(13)16-2/h3-8,13-14,16H,9H2,1-2H3
InChIKeyWSVDXRKZEYCOBD-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64634656) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64634656
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1Sc1nccc(C)n1
InChIInChI=1S/C15H17N3S/c1-10-7-8-17-15(18-10)19-13-9-11-5-3-4-6-12(11)14(13)16-2/h3-8,13-14,16H,9H2,1-2H3
InChIKeyWSVDXRKZEYCOBD-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64634656) is N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1Sc1nccc(C)n1.
What is the InChIKey of N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WSVDXRKZEYCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-7-8-17-15(18-10)19-13-9-11-5-3-4-6-12(11)14(13)16-2/h3-8,13-14,16H,9H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64634656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).