4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

C13H13BrN4 — CID 71469238

IUPAC4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2cc(Br)ccc2N1c1ccnc(N)n1
InChIInChI=1S/C13H13BrN4/c1-8-6-9-7-10(14)2-3-11(9)18(8)12-4-5-16-13(15)17-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17)
InChIKeyDONALTPYZLYSEE-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.90
Rot. Bonds1

About 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 71469238) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID71469238
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2cc(Br)ccc2N1c1ccnc(N)n1
InChIInChI=1S/C13H13BrN4/c1-8-6-9-7-10(14)2-3-11(9)18(8)12-4-5-16-13(15)17-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17)
InChIKeyDONALTPYZLYSEE-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 71469238) is 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is CC1Cc2cc(Br)ccc2N1c1ccnc(N)n1.
What is the InChIKey of 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is DONALTPYZLYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-8-6-9-7-10(14)2-3-11(9)18(8)12-4-5-16-13(15)17-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17).
What are the key properties of 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 305.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71469238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).