6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine

C17H22N4 — CID 62201754

IUPAC6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCN1CCc2cc(-c3nc(N)cc(C(C)(C)C)n3)ccc21
InChIInChI=1S/C17H22N4/c1-17(2,3)14-10-15(18)20-16(19-14)12-5-6-13-11(9-12)7-8-21(13)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20)
InChIKeyWKIXCHXFEWHXQZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds1

About 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine

6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (PubChem CID 62201754) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
PubChem CID62201754
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
SMILESCN1CCc2cc(-c3nc(N)cc(C(C)(C)C)n3)ccc21
InChIInChI=1S/C17H22N4/c1-17(2,3)14-10-15(18)20-16(19-14)12-5-6-13-11(9-12)7-8-21(13)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20)
InChIKeyWKIXCHXFEWHXQZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine (CID 62201754) is 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is CN1CCc2cc(-c3nc(N)cc(C(C)(C)C)n3)ccc21.
What is the InChIKey of 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
The InChIKey is WKIXCHXFEWHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-17(2,3)14-10-15(18)20-16(19-14)12-5-6-13-11(9-12)7-8-21(13)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine?
6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62201754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).