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

C16H19N3OS — CID 79370352

IUPAC6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Sc1nccc(C)n1
InChIInChI=1S/C16H19N3OS/c1-10-6-7-18-16(19-10)21-14-8-11-4-5-12(20-3)9-13(11)15(14)17-2/h4-7,9,14-15,17H,8H2,1-3H3
InChIKeyNYXQIKCQVUXYOL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.77
Rot. Bonds4

About 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370352) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79370352
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Sc1nccc(C)n1
InChIInChI=1S/C16H19N3OS/c1-10-6-7-18-16(19-10)21-14-8-11-4-5-12(20-3)9-13(11)15(14)17-2/h4-7,9,14-15,17H,8H2,1-3H3
InChIKeyNYXQIKCQVUXYOL-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64634656
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79375427
2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375259
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
(3S)-1-(2,4-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1167712

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 79370352) is 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1Sc1nccc(C)n1.
What is the InChIKey of 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NYXQIKCQVUXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-6-7-18-16(19-10)21-14-8-11-4-5-12(20-3)9-13(11)15(14)17-2/h4-7,9,14-15,17H,8H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 301.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).