4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C22H24N4O — CID 112905248

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)27-19-10-8-18(9-11-19)24-22-23-13-12-21(25-22)26-16(3)14-17-6-4-5-7-20(17)26/h4-13,15-16H,14H2,1-3H3,(H,23,24,25)
InChIKeyXOGVWZFXSYXKMA-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.09
Rot. Bonds5

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 112905248) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID112905248
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)27-19-10-8-18(9-11-19)24-22-23-13-12-21(25-22)26-16(3)14-17-6-4-5-7-20(17)26/h4-13,15-16H,14H2,1-3H3,(H,23,24,25)
InChIKeyXOGVWZFXSYXKMA-UHFFFAOYSA-N
XLogP5.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 112905248) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is CC(C)Oc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is XOGVWZFXSYXKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)27-19-10-8-18(9-11-19)24-22-23-13-12-21(25-22)26-16(3)14-17-6-4-5-7-20(17)26/h4-13,15-16H,14H2,1-3H3,(H,23,24,25).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112905248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).