N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H19N5S — CID 51927775

About N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51927775) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 51927775
• Molecular Formula: C20H19N5S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.14
• IUPAC Name: N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc(N[C@H](c2ccc3c(c2)CCC3)c2cccs2)n2ncnc2n1
• InChI: InChI=1S/C20H19N5S/c1-13-10-18(25-20(23-13)21-12-22-25)24-19(17-6-3-9-26-17)16-8-7-14-4-2-5-15(14)11-16/h3,6-12,19,24H,2,4-5H2,1H3/t19-/m1/s1
• InChIKey: BNMWPBZUQREUKO-LJQANCHMSA-N
• XLogP: 4.18
• TPSA: 55.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51927775) is N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@H](c2ccc3c(c2)CCC3)c2cccs2)n2ncnc2n1.

What is the InChIKey of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is BNMWPBZUQREUKO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N5S/c1-13-10-18(25-20(23-13)21-12-22-25)24-19(17-6-3-9-26-17)16-8-7-14-4-2-5-15(14)11-16/h3,6-12,19,24H,2,4-5H2,1H3/t19-/m1/s1.

What are the key properties of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51927775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).