N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

C22H22N4O2 — CID 112932042

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112932042) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
• PubChem CID: 112932042
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
• SMILES: Cc1cc(N2c3ccccc3CC2C)nc(Nc2ccc3c(c2)OCCO3)n1
• InChI: InChI=1S/C22H22N4O2/c1-14-11-21(26-15(2)12-16-5-3-4-6-18(16)26)25-22(23-14)24-17-7-8-19-20(13-17)28-10-9-27-19/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,23,24,25)
• InChIKey: URBJBJJLQIPAAI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112932042) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is Cc1cc(N2c3ccccc3CC2C)nc(Nc2ccc3c(c2)OCCO3)n1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The InChIKey is URBJBJJLQIPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-21(26-15(2)12-16-5-3-4-6-18(16)26)25-22(23-14)24-17-7-8-19-20(13-17)28-10-9-27-19/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,23,24,25).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 374.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112932042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).